4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide

C18H14N6OS — CID 91967801

IUPAC4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C18H14N6OS/c1-12-15(26-17(22-12)13-6-3-2-4-7-13)16(25)23-14-10-19-18(20-11-14)24-9-5-8-21-24/h2-11H,1H3,(H,23,25)
InChIKeyLPOCOQCNYGKLBQ-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.35
Rot. Bonds4

About 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 91967801) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID91967801
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC Name4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C18H14N6OS/c1-12-15(26-17(22-12)13-6-3-2-4-7-13)16(25)23-14-10-19-18(20-11-14)24-9-5-8-21-24/h2-11H,1H3,(H,23,25)
InChIKeyLPOCOQCNYGKLBQ-UHFFFAOYSA-N
XLogP3.35
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (CID 91967801) is 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LPOCOQCNYGKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c1-12-15(26-17(22-12)13-6-3-2-4-7-13)16(25)23-14-10-19-18(20-11-14)24-9-5-8-21-24/h2-11H,1H3,(H,23,25).
What are the key properties of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91967801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).