N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C9H13N3OS2 — CID 62092045

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)CC(N)=S
InChIInChI=1S/C9H13N3OS2/c1-5(3-7(10)14)12-9(13)8-6(2)11-4-15-8/h4-5H,3H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyNXOFTMKVHDQCFF-UHFFFAOYSA-N
MW243.36 g/mol
LogP1.25
Rot. Bonds4

About N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62092045) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62092045
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)CC(N)=S
InChIInChI=1S/C9H13N3OS2/c1-5(3-7(10)14)12-9(13)8-6(2)11-4-15-8/h4-5H,3H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyNXOFTMKVHDQCFF-UHFFFAOYSA-N
XLogP1.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-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

Related Compounds

N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 130948721
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 81064431
N-(4-amino-4-sulfanylidenebutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107972197
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61119636
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16671741
N-(4-amino-4-sulfanylidenebutan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 62092793
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide
CID 62092235
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 62092045) is N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(C)CC(N)=S.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NXOFTMKVHDQCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-5(3-7(10)14)12-9(13)8-6(2)11-4-15-8/h4-5H,3H2,1-2H3,(H2,10,14)(H,12,13).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 243.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62092045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).