N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C18H20N4O3S — CID 55790210

IUPACN-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C18H20N4O3S/c1-4-24-13-6-7-16(25-5-2)14(8-13)20-17(23)15-11-26-18(21-15)12-9-19-22(3)10-12/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCRKILAYONHESIN-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.59
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55790210) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55790210
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C18H20N4O3S/c1-4-24-13-6-7-16(25-5-2)14(8-13)20-17(23)15-11-26-18(21-15)12-9-19-22(3)10-12/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCRKILAYONHESIN-UHFFFAOYSA-N
XLogP3.59
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119774063
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
N-[2-(3-methoxyphenoxy)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55792234
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86866208
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86836671
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55786671
tert-butyl N-[2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 55970622

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55790210) is N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CRKILAYONHESIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-24-13-6-7-16(25-5-2)14(8-13)20-17(23)15-11-26-18(21-15)12-9-19-22(3)10-12/h6-11H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55790210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).