(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide

C13H14N4O2S — CID 143575795

IUPAC(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1nc(C)c(C(=O)n2ccnc2)s1
InChIInChI=1S/C13H14N4O2S/c1-4-8(2)11(18)16-13-15-9(3)10(20-13)12(19)17-6-5-14-7-17/h4-7H,1-3H3,(H,15,16,18)/b8-4+
InChIKeyJVNHZXONGDHDQZ-XBXARRHUSA-N
MW290.35 g/mol
LogP2.24
Rot. Bonds3

About (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide

(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide (PubChem CID 143575795) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide
PubChem CID143575795
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1nc(C)c(C(=O)n2ccnc2)s1
InChIInChI=1S/C13H14N4O2S/c1-4-8(2)11(18)16-13-15-9(3)10(20-13)12(19)17-6-5-14-7-17/h4-7H,1-3H3,(H,15,16,18)/b8-4+
InChIKeyJVNHZXONGDHDQZ-XBXARRHUSA-N
XLogP2.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59323900
N-[5-[(1Z)-1-[(1-amino-3-fluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89091301
N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89096129
N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59615715
N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91606298
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 121114149
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
CID 131101814
N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 87291867
N-[4-methyl-5-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293655
N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91284431
N-[5-[2-(2-fluorophenyl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293675
N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide
CID 172739310

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide (CID 143575795) is (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)Nc1nc(C)c(C(=O)n2ccnc2)s1.
What is the InChIKey of (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide?
The InChIKey is JVNHZXONGDHDQZ-XBXARRHUSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-4-8(2)11(18)16-13-15-9(3)10(20-13)12(19)17-6-5-14-7-17/h4-7H,1-3H3,(H,15,16,18)/b8-4+.
What are the key properties of (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide?
(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide has a molecular weight of 290.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide is sourced from PubChem (CID 143575795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).