4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole

C18H20ClN5S — CID 133452045

IUPAC4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESCCn1cnnc1C1CCCN(c2nc(-c3ccccc3Cl)cs2)C1
InChIInChI=1S/C18H20ClN5S/c1-2-23-12-20-22-17(23)13-6-5-9-24(10-13)18-21-16(11-25-18)14-7-3-4-8-15(14)19/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3
InChIKeyBXQHEYWGRKASBD-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.46
Rot. Bonds4

About 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole

4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole (PubChem CID 133452045) has the molecular formula C18H20ClN5S and a molecular weight of 373.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole
PubChem CID133452045
Molecular FormulaC18H20ClN5S
Molecular Weight373.91 g/mol
Exact Mass373.11
IUPAC Name4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESCCn1cnnc1C1CCCN(c2nc(-c3ccccc3Cl)cs2)C1
InChIInChI=1S/C18H20ClN5S/c1-2-23-12-20-22-17(23)13-6-5-9-24(10-13)18-21-16(11-25-18)14-7-3-4-8-15(14)19/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3
InChIKeyBXQHEYWGRKASBD-UHFFFAOYSA-N
XLogP4.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 97211645
6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133493713
5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 75442478
2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133349177
(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 95111280
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
2-[[4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 86935419
[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 133451629
(3R)-1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 97060329
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole (CID 133452045) is 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole is CCn1cnnc1C1CCCN(c2nc(-c3ccccc3Cl)cs2)C1.
What is the InChIKey of 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is BXQHEYWGRKASBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5S/c1-2-23-12-20-22-17(23)13-6-5-9-24(10-13)18-21-16(11-25-18)14-7-3-4-8-15(14)19/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole?
4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 373.91 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 133452045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).