N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C17H18N4OS — CID 70751402

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCc1nc(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cs1
InChIInChI=1S/C17H18N4OS/c1-13-19-15(12-23-13)10-17(22)20(2)11-14-4-6-16(7-5-14)21-9-3-8-18-21/h3-9,12H,10-11H2,1-2H3
InChIKeyJFMXIJQRVGJWPZ-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 70751402) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID70751402
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCc1nc(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cs1
InChIInChI=1S/C17H18N4OS/c1-13-19-15(12-23-13)10-17(22)20(2)11-14-4-6-16(7-5-14)21-9-3-8-18-21/h3-9,12H,10-11H2,1-2H3
InChIKeyJFMXIJQRVGJWPZ-UHFFFAOYSA-N
XLogP2.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 24791640
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 58532021
Phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 1476749
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24792955
13-(4-Methyl-1,3-thiazol-2-yl)-15-pyridazin-3-yl-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44290851
13-(4-Methyl-1,3-thiazol-2-yl)-15-pyridazin-4-yl-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44290852
15-(1-Methylpyrazol-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44290875
2-[3-Methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
CID 56918678
N-[[4-(aminomethyl)phenyl]methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 168292184
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24790771
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]-3-piperidinecarboxamide
CID 24817631

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 70751402) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is Cc1nc(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cs1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is JFMXIJQRVGJWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13-19-15(12-23-13)10-17(22)20(2)11-14-4-6-16(7-5-14)21-9-3-8-18-21/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 326.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 70751402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).