N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide

C16H16N4OS — CID 75477161

IUPACN-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1nc(Cc2ccccc2)cs1
InChIInChI=1S/C16H16N4OS/c21-15(7-10-20-9-4-8-17-20)19-16-18-14(12-22-16)11-13-5-2-1-3-6-13/h1-6,8-9,12H,7,10-11H2,(H,18,19,21)
InChIKeyVGUHCBCKYBCKHW-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.96
Rot. Bonds6

About N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide

N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 75477161) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide
PubChem CID75477161
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1nc(Cc2ccccc2)cs1
InChIInChI=1S/C16H16N4OS/c21-15(7-10-20-9-4-8-17-20)19-16-18-14(12-22-16)11-13-5-2-1-3-6-13/h1-6,8-9,12H,7,10-11H2,(H,18,19,21)
InChIKeyVGUHCBCKYBCKHW-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487121
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-pyrazol-1-ylbutanamide
CID 94810560
2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380788
5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474717
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide
CID 102989766
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119437899
N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide (CID 75477161) is N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1nc(Cc2ccccc2)cs1.
What is the InChIKey of N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is VGUHCBCKYBCKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(7-10-20-9-4-8-17-20)19-16-18-14(12-22-16)11-13-5-2-1-3-6-13/h1-6,8-9,12H,7,10-11H2,(H,18,19,21).
What are the key properties of N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide?
N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 312.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 75477161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).