5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine

C76H121N9S3 — CID 157098556

IUPAC5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine
SMILESC/C=C/c1ccc(C(C)C)nc1.C/C=C/c1cnc(C(C)C)nc1.CC(C)CC1(C)CCCCC1.CCCc1ccc(C(C)C)nc1.CCc1ccc(C(C)C)nc1.CCc1cnc(C(C)C)s1.CCc1csc(C(C)C)n1.CCc1nsc(C(C)C)n1
InChIInChI=1S/C11H17N.C11H15N.C11H22.C10H14N2.C10H15N.2C8H13NS.C7H12N2S/c2*1-4-5-10-6-7-11(9(2)3)12-8-10;1-10(2)9-11(3)7-5-4-6-8-11;1-4-5-9-6-11-10(8(2)3)12-7-9;1-4-9-5-6-10(8(2)3)11-7-9;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-4-6-8-7(5(2)3)10-9-6/h6-9H,4-5H2,1-3H3;4-9H,1-3H3;10H,4-9H2,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;2*5-6H,4H2,1-3H3;5H,4H2,1-3H3/b;5-4+;;5-4+;;;;
InChIKeyAFMMYKOUGIDJDD-UMGVSJBDSA-N
MW1257.07 g/mol
LogP23.68
Rot. Bonds17

About 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine

5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine (PubChem CID 157098556) has the molecular formula C76H121N9S3 and a molecular weight of 1257.07 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine.

Molecular Properties

Compound Name5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine
PubChem CID157098556
Molecular FormulaC76H121N9S3
Molecular Weight1257.07 g/mol
Exact Mass1255.89
IUPAC Name5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine
SMILESC/C=C/c1ccc(C(C)C)nc1.C/C=C/c1cnc(C(C)C)nc1.CC(C)CC1(C)CCCCC1.CCCc1ccc(C(C)C)nc1.CCc1ccc(C(C)C)nc1.CCc1cnc(C(C)C)s1.CCc1csc(C(C)C)n1.CCc1nsc(C(C)C)n1
InChIInChI=1S/C11H17N.C11H15N.C11H22.C10H14N2.C10H15N.2C8H13NS.C7H12N2S/c2*1-4-5-10-6-7-11(9(2)3)12-8-10;1-10(2)9-11(3)7-5-4-6-8-11;1-4-5-9-6-11-10(8(2)3)12-7-9;1-4-9-5-6-10(8(2)3)11-7-9;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-4-6-8-7(5(2)3)10-9-6/h6-9H,4-5H2,1-3H3;4-9H,1-3H3;10H,4-9H2,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;2*5-6H,4H2,1-3H3;5H,4H2,1-3H3/b;5-4+;;5-4+;;;;
InChIKeyAFMMYKOUGIDJDD-UMGVSJBDSA-N
XLogP23.68
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.07
LogP ≤ 523.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 59252432
5-Methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 45167404
2-(4-Butylphenyl)-4-methyl-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 127043104
2-(4-Tert-butylphenyl)-4-methyl-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 135370749
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-4-ylpyrimidin-4-yl)-1,3-thiazole
CID 145977271
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 145978648
N'-[4-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]pyridine-3-carboximidamide
CID 135370552
5-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-7-pyrimidin-2-ylthieno[2,3-c]pyridine
CID 123473230
6-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine
CID 123504123
2-[[2-(2-Fluoro-4-pyridinyl)-5-[4-[2-(3-methylphenyl)-5-propyl-1,3-thiazol-4-yl]butan-2-yl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 123589847
6-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123777526
4-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123891055

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine?
The IUPAC name of 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine (CID 157098556) is 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine.
What is the SMILES notation for 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine?
The canonical SMILES for 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine is C/C=C/c1ccc(C(C)C)nc1.C/C=C/c1cnc(C(C)C)nc1.CC(C)CC1(C)CCCCC1.CCCc1ccc(C(C)C)nc1.CCc1ccc(C(C)C)nc1.CCc1cnc(C(C)C)s1.CCc1csc(C(C)C)n1.CCc1nsc(C(C)C)n1.
What is the InChIKey of 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine?
The InChIKey is AFMMYKOUGIDJDD-UMGVSJBDSA-N. The full InChI is InChI=1S/C11H17N.C11H15N.C11H22.C10H14N2.C10H15N.2C8H13NS.C7H12N2S/c2*1-4-5-10-6-7-11(9(2)3)12-8-10;1-10(2)9-11(3)7-5-4-6-8-11;1-4-5-9-6-11-10(8(2)3)12-7-9;1-4-9-5-6-10(8(2)3)11-7-9;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-4-6-8-7(5(2)3)10-9-6/h6-9H,4-5H2,1-3H3;4-9H,1-3H3;10H,4-9H2,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;2*5-6H,4H2,1-3H3;5H,4H2,1-3H3/b;5-4+;;5-4+;;;;.
What are the key properties of 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine?
5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine has a molecular weight of 1257.07 g/mol, XLogP of 23.68, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-ylpyridine;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-methyl-1-(2-methylpropyl)cyclohexane;2-propan-2-yl-5-[(E)-prop-1-enyl]pyridine;2-propan-2-yl-5-[(E)-prop-1-enyl]pyrimidine;2-propan-2-yl-5-propylpyridine is sourced from PubChem (CID 157098556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).