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

C9H13N3OS2 — CID 61119636

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C9H13N3OS2/c1-5-6(15-4-11-5)7(13)12-9(2,3)8(10)14/h4H,1-3H3,(H2,10,14)(H,12,13)
InChIKeyGNLYJMIOHHCDOD-UHFFFAOYSA-N
MW243.36 g/mol
LogP1.25
Rot. Bonds3

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

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 61119636) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID61119636
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C9H13N3OS2/c1-5-6(15-4-11-5)7(13)12-9(2,3)8(10)14/h4H,1-3H3,(H2,10,14)(H,12,13)
InChIKeyGNLYJMIOHHCDOD-UHFFFAOYSA-N
XLogP1.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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'}

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
4-methyl-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 82723283
3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 64673287
N-(1-hydroxy-2-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64555805
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
CID 80645165
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62092045
N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 106169527
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75498491
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 130948721
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 61119636) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(C)(C)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GNLYJMIOHHCDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-5-6(15-4-11-5)7(13)12-9(2,3)8(10)14/h4H,1-3H3,(H2,10,14)(H,12,13).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 243.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 61119636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).