1-ethyl-1-(2-methylpropyl)cyclohexane;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;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

C77H123N9S3 — CID 159182022

IUPAC1-ethyl-1-(2-methylpropyl)cyclohexane;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;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.CCC1(CC(C)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/C12H24.C11H17N.C11H15N.C10H14N2.C10H15N.2C8H13NS.C7H12N2S/c1-4-12(10-11(2)3)8-6-5-7-9-12;2*1-4-5-10-6-7-11(9(2)3)12-8-10;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/h11H,4-10H2,1-3H3;6-9H,4-5H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;2*5-6H,4H2,1-3H3;5H,4H2,1-3H3/b;;2*5-4+;;;;
InChIKeyKNACEHDELJBSOB-LLNXIALDSA-N
MW1271.09 g/mol
LogP24.07
Rot. Bonds18

About 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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

1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 159182022) has the molecular formula C77H123N9S3 and a molecular weight of 1271.09 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 Name1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 CID159182022
Molecular FormulaC77H123N9S3
Molecular Weight1271.09 g/mol
Exact Mass1269.91
IUPAC Name1-ethyl-1-(2-methylpropyl)cyclohexane;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;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.CCC1(CC(C)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/C12H24.C11H17N.C11H15N.C10H14N2.C10H15N.2C8H13NS.C7H12N2S/c1-4-12(10-11(2)3)8-6-5-7-9-12;2*1-4-5-10-6-7-11(9(2)3)12-8-10;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/h11H,4-10H2,1-3H3;6-9H,4-5H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;2*5-6H,4H2,1-3H3;5H,4H2,1-3H3/b;;2*5-4+;;;;
InChIKeyKNACEHDELJBSOB-LLNXIALDSA-N
XLogP24.07
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001271.09
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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

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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 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 159182022) is 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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.CCC1(CC(C)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 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 KNACEHDELJBSOB-LLNXIALDSA-N. The full InChI is InChI=1S/C12H24.C11H17N.C11H15N.C10H14N2.C10H15N.2C8H13NS.C7H12N2S/c1-4-12(10-11(2)3)8-6-5-7-9-12;2*1-4-5-10-6-7-11(9(2)3)12-8-10;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/h11H,4-10H2,1-3H3;6-9H,4-5H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5-8H,4H2,1-3H3;2*5-6H,4H2,1-3H3;5H,4H2,1-3H3/b;;2*5-4+;;;;.
What are the key properties of 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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?
1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 1271.09 g/mol, XLogP of 24.07, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylpropyl)cyclohexane;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;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 159182022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).