2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole

C11H8ClN5S — CID 3043282

IUPAC2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(Cc3nn[nH]n3)cs2)cc1
InChIInChI=1S/C11H8ClN5S/c12-8-3-1-7(2-4-8)11-13-9(6-18-11)5-10-14-16-17-15-10/h1-4,6H,5H2,(H,14,15,16,17)
InChIKeyONIIRTRFVKBWNO-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.57
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole

2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (PubChem CID 3043282) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
PubChem CID3043282
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(Cc3nn[nH]n3)cs2)cc1
InChIInChI=1S/C11H8ClN5S/c12-8-3-1-7(2-4-8)11-13-9(6-18-11)5-10-14-16-17-15-10/h1-4,6H,5H2,(H,14,15,16,17)
InChIKeyONIIRTRFVKBWNO-UHFFFAOYSA-N
XLogP2.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238037
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779
2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 139222143
3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 9408356
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-methylacetamide
CID 78826678
(2,6-dimethylphenyl) 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18291326
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole
CID 130870172
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (CID 3043282) is 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is Clc1ccc(-c2nc(Cc3nn[nH]n3)cs2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is ONIIRTRFVKBWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-8-3-1-7(2-4-8)11-13-9(6-18-11)5-10-14-16-17-15-10/h1-4,6H,5H2,(H,14,15,16,17).
What are the key properties of 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 277.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 3043282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).