1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea

C15H19N3OS — CID 56782742

IUPAC1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(2)16-15(19)17-11(3)14-18-13(9-20-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,16,17,19)
InChIKeyPWULCJKAYUBENB-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea

1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea (PubChem CID 56782742) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea
PubChem CID56782742
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(2)16-15(19)17-11(3)14-18-13(9-20-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,16,17,19)
InChIKeyPWULCJKAYUBENB-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
4-Phenyl-2-thiazoleethanamine
CID 1497794
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
N-methyl-4-phenylthiazol-2-amine
CID 824443
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4803987
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4881245
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 9344082
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea (CID 56782742) is 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NC(C)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is PWULCJKAYUBENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)16-15(19)17-11(3)14-18-13(9-20-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,16,17,19).
What are the key properties of 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea?
1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 289.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 56782742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).