1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

C15H17N3OS — CID 51710217

IUPAC1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-c2ccccc2)n1)NC1CC1
InChIInChI=1S/C15H17N3OS/c19-15(18-12-6-7-12)16-9-8-13-10-20-14(17-13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,18,19)
InChIKeyLSAGNMWOHNBLNE-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.81
Rot. Bonds5

About 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 51710217) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID51710217
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-c2ccccc2)n1)NC1CC1
InChIInChI=1S/C15H17N3OS/c19-15(18-12-6-7-12)16-9-8-13-10-20-14(17-13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,18,19)
InChIKeyLSAGNMWOHNBLNE-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005819
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
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(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 111976952
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
1-cyclohexyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine
CID 144959114
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266965

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (CID 51710217) is 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1csc(-c2ccccc2)n1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is LSAGNMWOHNBLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(18-12-6-7-12)16-9-8-13-10-20-14(17-13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,16,18,19).
What are the key properties of 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 287.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 51710217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).