1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea

C15H17N3O3S — CID 127040286

IUPAC1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-13(10(2)19)22-15(17-9)18-14(20)16-8-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyWIOFZLMIWUBUJO-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.98
Rot. Bonds5

About 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea

1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 127040286) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID127040286
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-13(10(2)19)22-15(17-9)18-14(20)16-8-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyWIOFZLMIWUBUJO-UHFFFAOYSA-N
XLogP2.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
A1AR antagonist 3
CID 129834603
1-[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963393
N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(2-methylphenoxy)butanamide
CID 1637639
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
CID 2992172
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
2-({[(4-methoxybenzoyl)amino]carbothioyl}amino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1000196
1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
CID 1980098

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea (CID 127040286) is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2nc(C)c(C(C)=O)s2)cc1.
What is the InChIKey of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is WIOFZLMIWUBUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-13(10(2)19)22-15(17-9)18-14(20)16-8-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 319.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 127040286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).