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

C14H15N3O3S — CID 35281698

IUPAC1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C14H15N3O3S/c1-8-12(9(2)18)21-14(15-8)17-13(19)16-10-4-6-11(20-3)7-5-10/h4-7H,1-3H3,(H2,15,16,17,19)
InChIKeyHUGSYKCZIWFTJP-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.31
Rot. Bonds4

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

1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea (PubChem CID 35281698) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea
PubChem CID35281698
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C14H15N3O3S/c1-8-12(9(2)18)21-14(15-8)17-13(19)16-10-4-6-11(20-3)7-5-10/h4-7H,1-3H3,(H2,15,16,17,19)
InChIKeyHUGSYKCZIWFTJP-UHFFFAOYSA-N
XLogP3.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
4-Chloro-2-((4-methoxyphenyl)amino)-1,3-thiazole-5-carbaldehyde
CID 2471296
2-chloro-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850738
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
Ethyl 2-({[4-(4-methoxyphenyl)-1-piperazinyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 6464693
2-(4-Methoxyphenylamino)thiazolo[4,5-B]pyridine-5,7-diol
CID 54696642
4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole
CID 398017
N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 743852
4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
CID 1468097

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea (CID 35281698) is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=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)urea?
The InChIKey is HUGSYKCZIWFTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-12(9(2)18)21-14(15-8)17-13(19)16-10-4-6-11(20-3)7-5-10/h4-7H,1-3H3,(H2,15,16,17,19).
What are the key properties of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea?
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 305.36 g/mol, XLogP of 3.31, 4 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)urea is sourced from PubChem (CID 35281698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).