1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea

C15H17N3O3S — CID 60576885

IUPAC1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc(CN(C(=O)Nc2nccs2)C2CC2)ccc1O
InChIInChI=1S/C15H17N3O3S/c1-21-13-8-10(2-5-12(13)19)9-18(11-3-4-11)15(20)17-14-16-6-7-22-14/h2,5-8,11,19H,3-4,9H2,1H3,(H,16,17,20)
InChIKeyXUECNZYKOAHBPS-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.05
Rot. Bonds5

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

1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 60576885) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID60576885
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc(CN(C(=O)Nc2nccs2)C2CC2)ccc1O
InChIInChI=1S/C15H17N3O3S/c1-21-13-8-10(2-5-12(13)19)9-18(11-3-4-11)15(20)17-14-16-6-7-22-14/h2,5-8,11,19H,3-4,9H2,1H3,(H,16,17,20)
InChIKeyXUECNZYKOAHBPS-UHFFFAOYSA-N
XLogP3.05
TPSA74.69 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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56576651
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620097
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336
5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid
CID 166275349
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393426
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea (CID 60576885) is 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea is COc1cc(CN(C(=O)Nc2nccs2)C2CC2)ccc1O.
What is the InChIKey of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is XUECNZYKOAHBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-21-13-8-10(2-5-12(13)19)9-18(11-3-4-11)15(20)17-14-16-6-7-22-14/h2,5-8,11,19H,3-4,9H2,1H3,(H,16,17,20).
What are the key properties of 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea?
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 319.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 60576885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).