4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C15H15N7O2S2 — CID 24660493

IUPAC4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C15H15N7O2S2/c1-21-7-8-25-14(21)17-13(24)10-3-5-11(6-4-10)16-12(23)9-26-15-18-19-20-22(15)2/h3-8H,9H2,1-2H3,(H,16,23)/b17-14+
InChIKeyVQNAJQUZDBSBPX-SAPNQHFASA-N
MW389.47 g/mol
LogP1.08
Rot. Bonds5

About 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 24660493) has the molecular formula C15H15N7O2S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID24660493
Molecular FormulaC15H15N7O2S2
Molecular Weight389.47 g/mol
Exact Mass389.07
IUPAC Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C15H15N7O2S2/c1-21-7-8-25-14(21)17-13(24)10-3-5-11(6-4-10)16-12(23)9-26-15-18-19-20-22(15)2/h3-8H,9H2,1-2H3,(H,16,23)/b17-14+
InChIKeyVQNAJQUZDBSBPX-SAPNQHFASA-N
XLogP1.08
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24513193
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
[(1S)-1-cyanoethyl] 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 7617558
N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-4-carboxamide
CID 31303207
(4-methylphenyl)methyl 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 7617556
4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38163110
N-[3-cyano-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 17324741
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
methyl 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 6470928

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 24660493) is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cn1nnnc1SCC(=O)Nc1ccc(C(=O)/N=c2/sccn2C)cc1.
What is the InChIKey of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is VQNAJQUZDBSBPX-SAPNQHFASA-N. The full InChI is InChI=1S/C15H15N7O2S2/c1-21-7-8-25-14(21)17-13(24)10-3-5-11(6-4-10)16-12(23)9-26-15-18-19-20-22(15)2/h3-8H,9H2,1-2H3,(H,16,23)/b17-14+.
What are the key properties of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 389.47 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 24660493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).