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

C11H10ClN3OS — CID 727779

IUPAC1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyKJOYVHWQVBKBBJ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.75
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 727779) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID727779
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyKJOYVHWQVBKBBJ-UHFFFAOYSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, N-(3-chlorophenyl)-N'-2-thiazolyl-
CID 178054
N-(3-Chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-YL)urea
CID 727855
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
CID 1123739
1-[2-(2-Chloroanilino)thiazole-4-yl]ethanone
CID 2744808
N-(4-(4-Chlorophenyl)-2-thiazolyl)-N'-phenylurea
CID 897193
N-(3-chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)thiourea
CID 1225439
1-(4-Chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 750426
N-[4-(tert-butyl)-1,3-thiazol-2-yl]-N'-phenylurea
CID 1484524
Ethyl (2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2816687
N-[4-(Chloromethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 306088
1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea
CID 324932

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 727779) is 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is KJOYVHWQVBKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(4-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 267.74 g/mol, XLogP of 3.75, 2 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-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 727779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).