N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C15H20N4OS — CID 136544098

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2sc(C)nc2CC(C)C)n1
InChIInChI=1S/C15H20N4OS/c1-8(2)6-12-13(21-11(5)18-12)14(20)19-15-16-9(3)7-10(4)17-15/h7-8H,6H2,1-5H3,(H,16,17,19,20)
InChIKeyXNTWHUCBNJFRCR-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.31
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 136544098) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID136544098
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2sc(C)nc2CC(C)C)n1
InChIInChI=1S/C15H20N4OS/c1-8(2)6-12-13(21-11(5)18-12)14(20)19-15-16-9(3)7-10(4)17-15/h7-8H,6H2,1-5H3,(H,16,17,19,20)
InChIKeyXNTWHUCBNJFRCR-UHFFFAOYSA-N
XLogP3.31
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 136544098) is N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1cc(C)nc(NC(=O)c2sc(C)nc2CC(C)C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XNTWHUCBNJFRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-8(2)6-12-13(21-11(5)18-12)14(20)19-15-16-9(3)7-10(4)17-15/h7-8H,6H2,1-5H3,(H,16,17,19,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136544098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).