1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

C13H14ClN3OS — CID 22559542

IUPAC1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-8(2)11-7-15-13(19-11)17-12(18)16-10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyUYOGKHLBYNPRIS-UHFFFAOYSA-N
MW295.80 g/mol
LogP4.56
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 22559542) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID22559542
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-8(2)11-7-15-13(19-11)17-12(18)16-10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyUYOGKHLBYNPRIS-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559570
1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559540
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170794
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170596
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 87884959
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 22559542) is 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is CC(C)c1cnc(NC(=O)Nc2ccccc2Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is UYOGKHLBYNPRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8(2)11-7-15-13(19-11)17-12(18)16-10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 295.80 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22559542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).