2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide

C10H9N3OS2 — CID 151260431

IUPAC2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(S)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C10H9N3OS2/c11-10-13-9(15)7(16-10)8(14)12-6-4-2-1-3-5-6/h1-5,15H,(H2,11,13)(H,12,14)
InChIKeyNUFSYLNFXSNJQI-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.27
Rot. Bonds2

About 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide

2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide (PubChem CID 151260431) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
PubChem CID151260431
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(S)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C10H9N3OS2/c11-10-13-9(15)7(16-10)8(14)12-6-4-2-1-3-5-6/h1-5,15H,(H2,11,13)(H,12,14)
InChIKeyNUFSYLNFXSNJQI-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667442
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115623
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide (CID 151260431) is 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide is Nc1nc(S)c(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide?
The InChIKey is NUFSYLNFXSNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c11-10-13-9(15)7(16-10)8(14)12-6-4-2-1-3-5-6/h1-5,15H,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide?
2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide has a molecular weight of 251.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 151260431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).