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

C16H18N6OS — CID 165129989

IUPACN-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C2CCC2)cc1NC(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C16H18N6OS/c1-10-13(8-22(20-10)12-4-3-5-12)18-15(23)14-9-24-16(19-14)11-6-17-21(2)7-11/h6-9,12H,3-5H2,1-2H3,(H,18,23)
InChIKeyJVYCRTNHNGJVJB-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.03
Rot. Bonds4

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

N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129989) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129989
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C2CCC2)cc1NC(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C16H18N6OS/c1-10-13(8-22(20-10)12-4-3-5-12)18-15(23)14-9-24-16(19-14)11-6-17-21(2)7-11/h6-9,12H,3-5H2,1-2H3,(H,18,23)
InChIKeyJVYCRTNHNGJVJB-UHFFFAOYSA-N
XLogP3.03
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129989) is N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1nn(C2CCC2)cc1NC(=O)c1csc(-c2cnn(C)c2)n1.
What is the InChIKey of N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JVYCRTNHNGJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-10-13(8-22(20-10)12-4-3-5-12)18-15(23)14-9-24-16(19-14)11-6-17-21(2)7-11/h6-9,12H,3-5H2,1-2H3,(H,18,23).
What are the key properties of N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-3-methylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).