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

C22H21N5OS — CID 71802240

IUPAC1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N5OS/c28-21(23-14-12-19-16-29-22(25-19)27-15-7-13-24-27)26-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-11,13,15-16,20H,12,14H2,(H2,23,26,28)
InChIKeySNPAJKSXOQWGSH-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.96
Rot. Bonds7

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

1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71802240) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71802240
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N5OS/c28-21(23-14-12-19-16-29-22(25-19)27-15-7-13-24-27)26-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-11,13,15-16,20H,12,14H2,(H2,23,26,28)
InChIKeySNPAJKSXOQWGSH-UHFFFAOYSA-N
XLogP3.96
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572150
1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 90572226
2-ethylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572185
2-pyrazol-1-yl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572214
1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90572245
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 71802228
2-(4-fluorophenyl)sulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 71802213
2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572154
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90572246
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138
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-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (CID 71802240) is 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1csc(-n2cccn2)n1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is SNPAJKSXOQWGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c28-21(23-14-12-19-16-29-22(25-19)27-15-7-13-24-27)26-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-11,13,15-16,20H,12,14H2,(H2,23,26,28).
What are the key properties of 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 403.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71802240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).