N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide

C17H18N4O3S — CID 16952159

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c(OC)c1
InChIInChI=1S/C17H18N4O3S/c1-10-7-13(20-21(10)2)16(22)19-17-18-14(9-25-17)12-6-5-11(23-3)8-15(12)24-4/h5-9H,1-4H3,(H,18,19,22)
InChIKeyJLAODXPYTHSMHH-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952159) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952159
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c(OC)c1
InChIInChI=1S/C17H18N4O3S/c1-10-7-13(20-21(10)2)16(22)19-17-18-14(9-25-17)12-6-5-11(23-3)8-15(12)24-4/h5-9H,1-4H3,(H,18,19,22)
InChIKeyJLAODXPYTHSMHH-UHFFFAOYSA-N
XLogP3.12
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxyquinoline-2-carboxamide
CID 35804340
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 4111761
6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 16605016
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30245473
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 16952118
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 16952159) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JLAODXPYTHSMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-7-13(20-21(10)2)16(22)19-17-18-14(9-25-17)12-6-5-11(23-3)8-15(12)24-4/h5-9H,1-4H3,(H,18,19,22).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).