1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea

C10H7Cl2N3OS — CID 722640

IUPAC1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nccs1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(5-8(7)12)14-9(16)15-10-13-3-4-17-10/h1-5H,(H2,13,14,15,16)
InChIKeyWQKHTLYMGJLKGP-UHFFFAOYSA-N
MW288.16 g/mol
LogP4.09
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 722640) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID722640
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nccs1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(5-8(7)12)14-9(16)15-10-13-3-4-17-10/h1-5H,(H2,13,14,15,16)
InChIKeyWQKHTLYMGJLKGP-UHFFFAOYSA-N
XLogP4.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, N-(3-chlorophenyl)-N'-2-thiazolyl-
CID 178054
4-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420156
5-bromo-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 16068632
1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea
CID 324932
1-(4-Chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 771027
1-(4-Chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 4127456
4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162665276
Urea, n-phenyl-n'-2-thiazolyl-
CID 283977
N-[1-(3,4-dichlorophenyl)tetrazol-5-yl]-1,3-thiazol-2-amine
CID 137527553
N-(3,4-dichlorophenyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea
CID 4151748

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea (CID 722640) is 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nccs1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is WQKHTLYMGJLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(5-8(7)12)14-9(16)15-10-13-3-4-17-10/h1-5H,(H2,13,14,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 288.16 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 722640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).