3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide

C17H19N5OS — CID 51106857

IUPAC3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H19N5OS/c1-12-15(17(18-2)24-21-12)16(23)19-10-8-13-9-11-22(20-13)14-6-4-3-5-7-14/h3-7,9,11,18H,8,10H2,1-2H3,(H,19,23)
InChIKeyZYCDJAXHJRLLGN-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.65
Rot. Bonds6

About 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide (PubChem CID 51106857) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
PubChem CID51106857
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H19N5OS/c1-12-15(17(18-2)24-21-12)16(23)19-10-8-13-9-11-22(20-13)14-6-4-3-5-7-14/h3-7,9,11,18H,8,10H2,1-2H3,(H,19,23)
InChIKeyZYCDJAXHJRLLGN-UHFFFAOYSA-N
XLogP2.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide
CID 42044523
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34742403
(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213413
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
3-methyl-5-(methylamino)-N-[(1S)-1-phenylethyl]-1,2-thiazole-4-carboxamide
CID 34676266

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide (CID 51106857) is 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide?
The InChIKey is ZYCDJAXHJRLLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-15(17(18-2)24-21-12)16(23)19-10-8-13-9-11-22(20-13)14-6-4-3-5-7-14/h3-7,9,11,18H,8,10H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 51106857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).