1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea

C14H15N3O3S — CID 23555732

IUPAC1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea
SMILESCOc1ccccc1N(C(N)=O)c1nc(CC(C)=O)cs1
InChIInChI=1S/C14H15N3O3S/c1-9(18)7-10-8-21-14(16-10)17(13(15)19)11-5-3-4-6-12(11)20-2/h3-6,8H,7H2,1-2H3,(H2,15,19)
InChIKeyLNIFDYKYCAJURE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.50
Rot. Bonds5

About 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea

1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea (PubChem CID 23555732) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea
PubChem CID23555732
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea
SMILESCOc1ccccc1N(C(N)=O)c1nc(CC(C)=O)cs1
InChIInChI=1S/C14H15N3O3S/c1-9(18)7-10-8-21-14(16-10)17(13(15)19)11-5-3-4-6-12(11)20-2/h3-6,8H,7H2,1-2H3,(H2,15,19)
InChIKeyLNIFDYKYCAJURE-UHFFFAOYSA-N
XLogP2.50
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7478091
N-[4-[(4-acetylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 31980575
1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089271
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 7284487
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55311287
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548719
N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 112780766
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate
CID 27535390
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-fluoro-4-methylbenzoate
CID 9386935
N-[4-[(4-formyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 38899618
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl (2S)-2-(benzenesulfonamido)propanoate
CID 55927992
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-cyclopropyl-2-pyrrolidin-1-ylacetate
CID 75524646

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea (CID 23555732) is 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea is COc1ccccc1N(C(N)=O)c1nc(CC(C)=O)cs1.
What is the InChIKey of 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea?
The InChIKey is LNIFDYKYCAJURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(18)7-10-8-21-14(16-10)17(13(15)19)11-5-3-4-6-12(11)20-2/h3-6,8H,7H2,1-2H3,(H2,15,19).
What are the key properties of 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea?
1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea has a molecular weight of 305.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 23555732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).