4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole

C13H8ClN7S — CID 122189481

IUPAC4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESClc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1
InChIInChI=1S/C13H8ClN7S/c14-10-4-2-1-3-9(10)11-7-22-13(16-11)21-6-8(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyYRNIGBGRMQASRF-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.83
Rot. Bonds3

About 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole

4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122189481) has the molecular formula C13H8ClN7S and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122189481
Molecular FormulaC13H8ClN7S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESClc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1
InChIInChI=1S/C13H8ClN7S/c14-10-4-2-1-3-9(10)11-7-22-13(16-11)21-6-8(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyYRNIGBGRMQASRF-UHFFFAOYSA-N
XLogP2.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 1481751
CID 1481751
CID 1474409
CID 1474409
CID 122189482
CID 122189482
CID 2805415
CID 2805415
CID 122189478
CID 122189478
CID 122189479
CID 122189479
CID 122189480
CID 122189480
CID 122189483
CID 122189483
CID 122189484
CID 122189484
CID 122189485
CID 122189485
CID 122189486
CID 122189486
CID 122189487
CID 122189487

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 122189481) is 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is Clc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1.
What is the InChIKey of 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is YRNIGBGRMQASRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN7S/c14-10-4-2-1-3-9(10)11-7-22-13(16-11)21-6-8(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20).
What are the key properties of 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 329.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122189481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).