N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide

C17H18N4O2S — CID 42110946

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccn(C)n3)sc2C)cc1
InChIInChI=1S/C17H18N4O2S/c1-4-23-13-7-5-12(6-8-13)15-11(2)24-17(18-15)19-16(22)14-9-10-21(3)20-14/h5-10H,4H2,1-3H3,(H,18,19,22)
InChIKeyUOEGDMJXLFEXKX-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.50
Rot. Bonds5

About N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 42110946) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide
PubChem CID42110946
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccn(C)n3)sc2C)cc1
InChIInChI=1S/C17H18N4O2S/c1-4-23-13-7-5-12(6-8-13)15-11(2)24-17(18-15)19-16(22)14-9-10-21(3)20-14/h5-10H,4H2,1-3H3,(H,18,19,22)
InChIKeyUOEGDMJXLFEXKX-UHFFFAOYSA-N
XLogP3.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2409521
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221178
4-Isopropoxy-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 2660552
US11306081, Example 086
CID 156361580
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434
(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 17399562
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221818
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 49792745

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide (CID 42110946) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide is CCOc1ccc(-c2nc(NC(=O)c3ccn(C)n3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is UOEGDMJXLFEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-23-13-7-5-12(6-8-13)15-11(2)24-17(18-15)19-16(22)14-9-10-21(3)20-14/h5-10H,4H2,1-3H3,(H,18,19,22).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).