1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C17H18N4O2S — CID 25284660

IUPAC1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-10-23-13-6-4-12(5-7-13)15-11-24-17(18-15)19-16(22)14-8-9-21(2)20-14/h4-9,11H,3,10H2,1-2H3,(H,18,19,22)
InChIKeyZPIKRKNSCZRUPX-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.58
Rot. Bonds6

About 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 25284660) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID25284660
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-10-23-13-6-4-12(5-7-13)15-11-24-17(18-15)19-16(22)14-8-9-21(2)20-14/h4-9,11H,3,10H2,1-2H3,(H,18,19,22)
InChIKeyZPIKRKNSCZRUPX-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389630
N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442383
N-[4-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442398
N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901592
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
1-Ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-thiazol-4-yl)-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135501101
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
4-benzyloxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 41163606

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 25284660) is 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is CCCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1.
What is the InChIKey of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is ZPIKRKNSCZRUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-10-23-13-6-4-12(5-7-13)15-11-24-17(18-15)19-16(22)14-8-9-21(2)20-14/h4-9,11H,3,10H2,1-2H3,(H,18,19,22).
What are the key properties of 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 25284660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).