N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C9H14N4O2S — CID 76928134

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H14N4O2S/c1-5-7(16-4-11-5)9(14)13(3)6(2)8(10)12-15/h4,6,15H,1-3H3,(H2,10,12)
InChIKeyWUVFNAWVUPDVNZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.66
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 76928134) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID76928134
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H14N4O2S/c1-5-7(16-4-11-5)9(14)13(3)6(2)8(10)12-15/h4,6,15H,1-3H3,(H2,10,12)
InChIKeyWUVFNAWVUPDVNZ-UHFFFAOYSA-N
XLogP0.66
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylthiophene-2-carboxamide
CID 76928249
N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112886
N,4-dimethyl-N-[(2S)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112885
N-(1-cyclopropylethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 51080851
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55008025
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 76928402
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylfuran-2-carboxamide
CID 76928329
N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47209048
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121422
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 76928227
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009567

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 76928134) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)C(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WUVFNAWVUPDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-5-7(16-4-11-5)9(14)13(3)6(2)8(10)12-15/h4,6,15H,1-3H3,(H2,10,12).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 76928134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).