1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea

C15H13Cl2N5OS — CID 90572226

IUPAC1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N5OS/c16-12-3-2-10(8-13(12)17)20-14(23)18-6-4-11-9-24-15(21-11)22-7-1-5-19-22/h1-3,5,7-9H,4,6H2,(H2,18,20,23)
InChIKeyGLZCJRWTTOEXQG-UHFFFAOYSA-N
MW382.28 g/mol
LogP4.00
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea

1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 90572226) has the molecular formula C15H13Cl2N5OS and a molecular weight of 382.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID90572226
Molecular FormulaC15H13Cl2N5OS
Molecular Weight382.28 g/mol
Exact Mass381.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N5OS/c16-12-3-2-10(8-13(12)17)20-14(23)18-6-4-11-9-24-15(21-11)22-7-1-5-19-22/h1-3,5,7-9H,4,6H2,(H2,18,20,23)
InChIKeyGLZCJRWTTOEXQG-UHFFFAOYSA-N
XLogP4.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90572245
1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90572246
1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 71802240
2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572154
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 71802228
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138
2-pyrazol-1-yl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572214
5-chloro-2-nitro-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572124
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
2-(4-fluorophenyl)sulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 71802213
2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 90572070

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (CID 90572226) is 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1csc(-n2cccn2)n1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is GLZCJRWTTOEXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5OS/c16-12-3-2-10(8-13(12)17)20-14(23)18-6-4-11-9-24-15(21-11)22-7-1-5-19-22/h1-3,5,7-9H,4,6H2,(H2,18,20,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 382.28 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 90572226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).