N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide

C17H18N4OS — CID 95906052

IUPACN-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESC[C@H](NC(=O)CCc1cscn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H18N4OS/c1-13(20-17(22)7-6-15-11-23-12-18-15)14-4-2-5-16(10-14)21-9-3-8-19-21/h2-5,8-13H,6-7H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyKWKSQYIMDYRECK-ZDUSSCGKSA-N
MW326.43 g/mol
LogP3.14
Rot. Bonds6

About N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide

N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 95906052) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID95906052
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESC[C@H](NC(=O)CCc1cscn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H18N4OS/c1-13(20-17(22)7-6-15-11-23-12-18-15)14-4-2-5-16(10-14)21-9-3-8-19-21/h2-5,8-13H,6-7H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyKWKSQYIMDYRECK-ZDUSSCGKSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
CID 119139749
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
2-indazol-1-yl-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906025
2-indazol-1-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906024
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63830975
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
CID 71868268

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide (CID 95906052) is N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide is C[C@H](NC(=O)CCc1cscn1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is KWKSQYIMDYRECK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13(20-17(22)7-6-15-11-23-12-18-15)14-4-2-5-16(10-14)21-9-3-8-19-21/h2-5,8-13H,6-7H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 326.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 95906052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).