N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide

C17H19N5OS — CID 130318532

IUPACN,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccn(C)n2)sc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19N5OS/c1-12-15(16(23)21(3)13-8-6-5-7-9-13)24-17(18-12)22(4)14-10-11-20(2)19-14/h5-11H,1-4H3
InChIKeyCJZUDMFFZVHKHH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.23
Rot. Bonds4

About N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 130318532) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID130318532
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccn(C)n2)sc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19N5OS/c1-12-15(16(23)21(3)13-8-6-5-7-9-13)24-17(18-12)22(4)14-10-11-20(2)19-14/h5-11H,1-4H3
InChIKeyCJZUDMFFZVHKHH-UHFFFAOYSA-N
XLogP3.23
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676688
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667777
N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
N,4-dimethyl-N-phenyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389345
N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide
CID 100773575
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 130318532) is N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(N(C)c2ccn(C)n2)sc1C(=O)N(C)c1ccccc1.
What is the InChIKey of N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is CJZUDMFFZVHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-15(16(23)21(3)13-8-6-5-7-9-13)24-17(18-12)22(4)14-10-11-20(2)19-14/h5-11H,1-4H3.
What are the key properties of N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130318532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).