4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide

C11H10N8O2S2 — CID 11989642

IUPAC4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C(=O)Nc3nn[nH]n3)n2)s1
InChIInChI=1S/C11H10N8O2S2/c1-4-7(23-11(12-4)13-5(2)20)6-3-22-9(14-6)8(21)15-10-16-18-19-17-10/h3H,1-2H3,(H,12,13,20)(H2,15,16,17,18,19,21)
InChIKeyORLBIHQAHSAZNF-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.30
Rot. Bonds4

About 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide

4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 11989642) has the molecular formula C11H10N8O2S2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide
PubChem CID11989642
Molecular FormulaC11H10N8O2S2
Molecular Weight350.39 g/mol
Exact Mass350.04
IUPAC Name4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C(=O)Nc3nn[nH]n3)n2)s1
InChIInChI=1S/C11H10N8O2S2/c1-4-7(23-11(12-4)13-5(2)20)6-3-22-9(14-6)8(21)15-10-16-18-19-17-10/h3H,1-2H3,(H,12,13,20)(H2,15,16,17,18,19,21)
InChIKeyORLBIHQAHSAZNF-UHFFFAOYSA-N
XLogP1.30
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide (CID 11989642) is 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide is CC(=O)Nc1nc(C)c(-c2csc(C(=O)Nc3nn[nH]n3)n2)s1.
What is the InChIKey of 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is ORLBIHQAHSAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8O2S2/c1-4-7(23-11(12-4)13-5(2)20)6-3-22-9(14-6)8(21)15-10-16-18-19-17-10/h3H,1-2H3,(H,12,13,20)(H2,15,16,17,18,19,21).
What are the key properties of 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide?
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 11989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).