2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide

C7H8N6OS — CID 146144229

IUPAC2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide
SMILESCc1cc(Cn2nnc(C(N)=O)n2)sn1
InChIInChI=1S/C7H8N6OS/c1-4-2-5(15-11-4)3-13-10-7(6(8)14)9-12-13/h2H,3H2,1H3,(H2,8,14)
InChIKeyNLHDWVXSCHDIKF-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.41
Rot. Bonds3

About 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide

2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide (PubChem CID 146144229) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide
PubChem CID146144229
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide
SMILESCc1cc(Cn2nnc(C(N)=O)n2)sn1
InChIInChI=1S/C7H8N6OS/c1-4-2-5(15-11-4)3-13-10-7(6(8)14)9-12-13/h2H,3H2,1H3,(H2,8,14)
InChIKeyNLHDWVXSCHDIKF-UHFFFAOYSA-N
XLogP-0.41
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide?
The IUPAC name of 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide (CID 146144229) is 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide is Cc1cc(Cn2nnc(C(N)=O)n2)sn1.
What is the InChIKey of 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide?
The InChIKey is NLHDWVXSCHDIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c1-4-2-5(15-11-4)3-13-10-7(6(8)14)9-12-13/h2H,3H2,1H3,(H2,8,14).
What are the key properties of 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide?
2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide has a molecular weight of 224.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide is sourced from PubChem (CID 146144229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).