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

C17H18N4O4S — CID 121023820

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cn(C)nc3OC)n2)c1
InChIInChI=1S/C17H18N4O4S/c1-21-8-12(16(20-21)25-4)15(22)19-17-18-13(9-26-17)11-7-10(23-2)5-6-14(11)24-3/h5-9H,1-4H3,(H,18,19,22)
InChIKeyIDWJISYFYRBMGU-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.82
Rot. Bonds6

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121023820) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121023820
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cn(C)nc3OC)n2)c1
InChIInChI=1S/C17H18N4O4S/c1-21-8-12(16(20-21)25-4)15(22)19-17-18-13(9-26-17)11-7-10(23-2)5-6-14(11)24-3/h5-9H,1-4H3,(H,18,19,22)
InChIKeyIDWJISYFYRBMGU-UHFFFAOYSA-N
XLogP2.82
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 4765478
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16556958
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55754430
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8873197
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121023820) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cn(C)nc3OC)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is IDWJISYFYRBMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-21-8-12(16(20-21)25-4)15(22)19-17-18-13(9-26-17)11-7-10(23-2)5-6-14(11)24-3/h5-9H,1-4H3,(H,18,19,22).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121023820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).