1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea

C19H17BrClN3OS — CID 22433491

IUPAC1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(C)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrClN3OS/c1-3-24(18(25)22-16-9-4-12(2)10-15(16)21)19-23-17(11-26-19)13-5-7-14(20)8-6-13/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyLSLLQNPWMYXIEJ-UHFFFAOYSA-N
MW450.79 g/mol
LogP6.59
Rot. Bonds4

About 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea (PubChem CID 22433491) has the molecular formula C19H17BrClN3OS and a molecular weight of 450.79 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea
PubChem CID22433491
Molecular FormulaC19H17BrClN3OS
Molecular Weight450.79 g/mol
Exact Mass449.00
IUPAC Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(C)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrClN3OS/c1-3-24(18(25)22-16-9-4-12(2)10-15(16)21)19-23-17(11-26-19)13-5-7-14(20)8-6-13/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyLSLLQNPWMYXIEJ-UHFFFAOYSA-N
XLogP6.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-ethyl-3-(2-nitrophenyl)urea
CID 28703312
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 4243160
3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433516
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxy-N-propylbenzamide
CID 22433180
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 3189591
3-[(2-chloro-4-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852285
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3529918
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide
CID 22433145
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-ethyl-3-(2-nitrophenyl)urea
CID 28703333
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea?
The IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea (CID 22433491) is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea?
The canonical SMILES for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea is CCN(C(=O)Nc1ccc(C)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea?
The InChIKey is LSLLQNPWMYXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3OS/c1-3-24(18(25)22-16-9-4-12(2)10-15(16)21)19-23-17(11-26-19)13-5-7-14(20)8-6-13/h4-11H,3H2,1-2H3,(H,22,25).
What are the key properties of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea?
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea has a molecular weight of 450.79 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea is sourced from PubChem (CID 22433491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).