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

C18H14N6O2S — CID 176859086

IUPACN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ncc(-c2ncoc2C(=O)Nc2nc(-c3ncccc3C)cs2)cn1
InChIInChI=1S/C18H14N6O2S/c1-10-4-3-5-19-14(10)13-8-27-18(23-13)24-17(25)16-15(22-9-26-16)12-6-20-11(2)21-7-12/h3-9H,1-2H3,(H,23,24,25)
InChIKeyQZLJMFYNZFBNRW-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.52
Rot. Bonds4

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

N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 176859086) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID176859086
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC NameN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ncc(-c2ncoc2C(=O)Nc2nc(-c3ncccc3C)cs2)cn1
InChIInChI=1S/C18H14N6O2S/c1-10-4-3-5-19-14(10)13-8-27-18(23-13)24-17(25)16-15(22-9-26-16)12-6-20-11(2)21-7-12/h3-9H,1-2H3,(H,23,24,25)
InChIKeyQZLJMFYNZFBNRW-UHFFFAOYSA-N
XLogP3.52
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.52
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-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide (CID 176859086) is N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-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-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide is Cc1ncc(-c2ncoc2C(=O)Nc2nc(-c3ncccc3C)cs2)cn1.
What is the InChIKey of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is QZLJMFYNZFBNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c1-10-4-3-5-19-14(10)13-8-27-18(23-13)24-17(25)16-15(22-9-26-16)12-6-20-11(2)21-7-12/h3-9H,1-2H3,(H,23,24,25).
What are the key properties of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide?
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 3.52, 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-(2-methylpyrimidin-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176859086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).