N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide

C17H12N6O2S — CID 176859598

IUPACN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2ocnc2-c2cncnc2)n1
InChIInChI=1S/C17H12N6O2S/c1-10-3-2-4-20-13(10)12-7-26-17(22-12)23-16(24)15-14(21-9-25-15)11-5-18-8-19-6-11/h2-9H,1H3,(H,22,23,24)
InChIKeyYVXODZZKOXLSKZ-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.21
Rot. Bonds4

About N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide

N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide (PubChem CID 176859598) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide
PubChem CID176859598
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC NameN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2ocnc2-c2cncnc2)n1
InChIInChI=1S/C17H12N6O2S/c1-10-3-2-4-20-13(10)12-7-26-17(22-12)23-16(24)15-14(21-9-25-15)11-5-18-8-19-6-11/h2-9H,1H3,(H,22,23,24)
InChIKeyYVXODZZKOXLSKZ-UHFFFAOYSA-N
XLogP3.21
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide (CID 176859598) is N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide is Cc1cccnc1-c1csc(NC(=O)c2ocnc2-c2cncnc2)n1.
What is the InChIKey of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide?
The InChIKey is YVXODZZKOXLSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2S/c1-10-3-2-4-20-13(10)12-7-26-17(22-12)23-16(24)15-14(21-9-25-15)11-5-18-8-19-6-11/h2-9H,1H3,(H,22,23,24).
What are the key properties of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide?
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176859598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).