N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide

C15H14N4OS — CID 75438976

IUPACN-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H14N4OS/c20-13(7-10-19-9-4-8-17-19)18-14-11-16-15(21-14)12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,18,20)
InChIKeyCFPZNIYWGHCANH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.04
Rot. Bonds5

About N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide

N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 75438976) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide
PubChem CID75438976
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H14N4OS/c20-13(7-10-19-9-4-8-17-19)18-14-11-16-15(21-14)12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,18,20)
InChIKeyCFPZNIYWGHCANH-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide (CID 75438976) is N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is CFPZNIYWGHCANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-13(7-10-19-9-4-8-17-19)18-14-11-16-15(21-14)12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,18,20).
What are the key properties of N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide?
N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 298.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-thiazol-5-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 75438976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).