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

C17H18N4O3S — CID 16952183

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

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952183) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952183
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c1
InChIInChI=1S/C17H18N4O3S/c1-10-7-13(20-21(10)2)16(22)19-17-18-14(9-25-17)12-8-11(23-3)5-6-15(12)24-4/h5-9H,1-4H3,(H,18,19,22)
InChIKeyJFRPJZDDKPIPLP-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 16952183) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is JFRPJZDDKPIPLP-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)12-8-11(23-3)5-6-15(12)24-4/h5-9H,1-4H3,(H,18,19,22).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[4-(2,5-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-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).