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

C16H14N4O2S — CID 71799752

IUPACN-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2sc(-c3ccccc3)nc2C)cn1
InChIInChI=1S/C16H14N4O2S/c1-10-13(23-15(19-10)11-6-4-3-5-7-11)14(21)20-12-8-17-16(22-2)18-9-12/h3-9H,1-2H3,(H,20,21)
InChIKeyRSCKBPUBBBQURX-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds4

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

N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 71799752) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID71799752
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2sc(-c3ccccc3)nc2C)cn1
InChIInChI=1S/C16H14N4O2S/c1-10-13(23-15(19-10)11-6-4-3-5-7-11)14(21)20-12-8-17-16(22-2)18-9-12/h3-9H,1-2H3,(H,20,21)
InChIKeyRSCKBPUBBBQURX-UHFFFAOYSA-N
XLogP3.17
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967888
4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967801
4-methyl-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 46470345
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121137383
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
2-(4-methoxyphenyl)-4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35035442
N'-(6-methoxypyridine-3-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24531640
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 86797967
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 122286938
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 71799752) is N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is COc1ncc(NC(=O)c2sc(-c3ccccc3)nc2C)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is RSCKBPUBBBQURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10-13(23-15(19-10)11-6-4-3-5-7-11)14(21)20-12-8-17-16(22-2)18-9-12/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71799752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).