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

C20H18N6OS — CID 71789817

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3sc(-c4ccccc4)nc3C)cn2)n1
InChIInChI=1S/C20H18N6OS/c1-12-9-13(2)26(25-12)20-21-10-16(11-22-20)24-18(27)17-14(3)23-19(28-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,24,27)
InChIKeyXGPBXTWAIHVHJO-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.96
Rot. Bonds4

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

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 71789817) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID71789817
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3sc(-c4ccccc4)nc3C)cn2)n1
InChIInChI=1S/C20H18N6OS/c1-12-9-13(2)26(25-12)20-21-10-16(11-22-20)24-18(27)17-14(3)23-19(28-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,24,27)
InChIKeyXGPBXTWAIHVHJO-UHFFFAOYSA-N
XLogP3.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 71789817) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1cc(C)n(-c2ncc(NC(=O)c3sc(-c4ccccc4)nc3C)cn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XGPBXTWAIHVHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-12-9-13(2)26(25-12)20-21-10-16(11-22-20)24-18(27)17-14(3)23-19(28-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,24,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71789817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).