N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide

C18H20N4OS — CID 134048772

IUPACN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(C)n3cccn3)cc2)cs1
InChIInChI=1S/C18H20N4OS/c1-13(22-11-3-9-20-22)18(23)19-10-8-15-4-6-16(7-5-15)17-12-24-14(2)21-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,19,23)
InChIKeyMFMOQYKDFPXJQE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 134048772) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID134048772
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(C)n3cccn3)cc2)cs1
InChIInChI=1S/C18H20N4OS/c1-13(22-11-3-9-20-22)18(23)19-10-8-15-4-6-16(7-5-15)17-12-24-14(2)21-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,19,23)
InChIKeyMFMOQYKDFPXJQE-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide
CID 43055174
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
2-(4-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 46509267
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568221
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]imidazole-4-carboxamide
CID 122156292
2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
CID 55788954

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide (CID 134048772) is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide is Cc1nc(-c2ccc(CCNC(=O)C(C)n3cccn3)cc2)cs1.
What is the InChIKey of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is MFMOQYKDFPXJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13(22-11-3-9-20-22)18(23)19-10-8-15-4-6-16(7-5-15)17-12-24-14(2)21-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide?
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 340.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).