N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

C17H18N4OS — CID 42956259

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2csc(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C17H18N4OS/c1-11(14-9-18-21(3)12(14)2)19-16(22)15-10-23-17(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyVYOWPTRXVXLUCV-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 42956259) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID42956259
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2csc(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C17H18N4OS/c1-11(14-9-18-21(3)12(14)2)19-16(22)15-10-23-17(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyVYOWPTRXVXLUCV-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 42956259) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is Cc1c(C(C)NC(=O)c2csc(-c3ccccc3)n2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is VYOWPTRXVXLUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(14-9-18-21(3)12(14)2)19-16(22)15-10-23-17(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42956259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).