2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C14H15N7O2S — CID 90506294

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)NCc3nnc(C)o3)cs2)n1
InChIInChI=1S/C14H15N7O2S/c1-7-4-8(2)17-13(16-7)19-14-18-10(6-24-14)12(22)15-5-11-21-20-9(3)23-11/h4,6H,5H2,1-3H3,(H,15,22)(H,16,17,18,19)
InChIKeyMKBHNRZCEUAAKT-UHFFFAOYSA-N
MW345.39 g/mol
LogP1.91
Rot. Bonds5

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 90506294) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID90506294
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)NCc3nnc(C)o3)cs2)n1
InChIInChI=1S/C14H15N7O2S/c1-7-4-8(2)17-13(16-7)19-14-18-10(6-24-14)12(22)15-5-11-21-20-9(3)23-11/h4,6H,5H2,1-3H3,(H,15,22)(H,16,17,18,19)
InChIKeyMKBHNRZCEUAAKT-UHFFFAOYSA-N
XLogP1.91
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90506242
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506218
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 90506222
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
CID 86287074
ethyl 2-[[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carbonyl]amino]thiophene-3-carboxylate
CID 90506303
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 90506294) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1cc(C)nc(Nc2nc(C(=O)NCc3nnc(C)o3)cs2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MKBHNRZCEUAAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c1-7-4-8(2)17-13(16-7)19-14-18-10(6-24-14)12(22)15-5-11-21-20-9(3)23-11/h4,6H,5H2,1-3H3,(H,15,22)(H,16,17,18,19).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).