1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

C10H10ClN3OS — CID 840553

IUPAC1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(NC1=NCCS1)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-4H,5-6H2,(H2,12,13,14,15)
InChIKeyNDKQFKQLYSXRDK-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.56
Rot. Bonds1

About 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 840553) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID840553
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(NC1=NCCS1)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-4H,5-6H2,(H2,12,13,14,15)
InChIKeyNDKQFKQLYSXRDK-UHFFFAOYSA-N
XLogP2.56
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 108906672
1-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3155567
N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 14391638
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea
CID 139238556
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812164
1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)thiourea
CID 21178741
1-(5-bromo-2,3,4,5-tetrahydropyridin-6-yl)-3-(4-chlorophenyl)urea
CID 165350444
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea
CID 23269356
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CID 730344

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (CID 840553) is 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is O=C(NC1=NCCS1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is NDKQFKQLYSXRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-4H,5-6H2,(H2,12,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 255.73 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 840553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).