5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

C14H16N4O3S — CID 53039091

IUPAC5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(N)=O)c(NC(=O)Cc2ccc(OC)cc2)s1
InChIInChI=1S/C14H16N4O3S/c1-16-14-18-11(12(15)20)13(22-14)17-10(19)7-8-3-5-9(21-2)6-4-8/h3-6H,7H2,1-2H3,(H2,15,20)(H,16,18)(H,17,19)
InChIKeyFYOPWDBBYNHRHH-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.47
Rot. Bonds6

About 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 53039091) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID53039091
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(N)=O)c(NC(=O)Cc2ccc(OC)cc2)s1
InChIInChI=1S/C14H16N4O3S/c1-16-14-18-11(12(15)20)13(22-14)17-10(19)7-8-3-5-9(21-2)6-4-8/h3-6H,7H2,1-2H3,(H2,15,20)(H,16,18)(H,17,19)
InChIKeyFYOPWDBBYNHRHH-UHFFFAOYSA-N
XLogP1.47
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
3-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-2-carboxamide
CID 68754317
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1010410
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 82176337
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453488
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 134697284

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 53039091) is 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(N)=O)c(NC(=O)Cc2ccc(OC)cc2)s1.
What is the InChIKey of 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is FYOPWDBBYNHRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-16-14-18-11(12(15)20)13(22-14)17-10(19)7-8-3-5-9(21-2)6-4-8/h3-6H,7H2,1-2H3,(H2,15,20)(H,16,18)(H,17,19).
What are the key properties of 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53039091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).