2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide

C6H5ClN6OS — CID 164646976

IUPAC2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nnc(NC(=O)c2csc(Cl)n2)n1
InChIInChI=1S/C6H5ClN6OS/c1-13-11-6(10-12-13)9-4(14)3-2-15-5(7)8-3/h2H,1H3,(H,9,11,14)
InChIKeyBHWUPWGYYYWZAZ-UHFFFAOYSA-N
MW244.67 g/mol
LogP0.57
Rot. Bonds2

About 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide

2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 164646976) has the molecular formula C6H5ClN6OS and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID164646976
Molecular FormulaC6H5ClN6OS
Molecular Weight244.67 g/mol
Exact Mass243.99
IUPAC Name2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nnc(NC(=O)c2csc(Cl)n2)n1
InChIInChI=1S/C6H5ClN6OS/c1-13-11-6(10-12-13)9-4(14)3-2-15-5(7)8-3/h2H,1H3,(H,9,11,14)
InChIKeyBHWUPWGYYYWZAZ-UHFFFAOYSA-N
XLogP0.57
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 75430284
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481
3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
CID 104852902
3-iodo-N-(2-methyltetrazol-5-yl)benzamide
CID 824051
4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 137006878
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931371
2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 70024708
2,3-difluoro-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105381449
3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 2024113
5-(4-chlorophenyl)-N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 17334481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 164646976) is 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide is Cn1nnc(NC(=O)c2csc(Cl)n2)n1.
What is the InChIKey of 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BHWUPWGYYYWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN6OS/c1-13-11-6(10-12-13)9-4(14)3-2-15-5(7)8-3/h2H,1H3,(H,9,11,14).
What are the key properties of 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide?
2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 244.67 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164646976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).