2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C14H13N5OS2 — CID 44564988

IUPAC2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1
InChIInChI=1S/C14H13N5OS2/c1-8-7-21-14(18-8)19-12(20)10-6-9(2-3-11(10)15)22-13-16-4-5-17-13/h2-7H,15H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyWQAJLXRHPKKTDU-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 44564988) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID44564988
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC Name2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1
InChIInChI=1S/C14H13N5OS2/c1-8-7-21-14(18-8)19-12(20)10-6-9(2-3-11(10)15)22-13-16-4-5-17-13/h2-7H,15H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyWQAJLXRHPKKTDU-UHFFFAOYSA-N
XLogP3.16
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 44564988) is 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1.
What is the InChIKey of 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is WQAJLXRHPKKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c1-8-7-21-14(18-8)19-12(20)10-6-9(2-3-11(10)15)22-13-16-4-5-17-13/h2-7H,15H2,1H3,(H,16,17)(H,18,19,20).
What are the key properties of 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 331.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1H-imidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44564988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).