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

C20H22N4OS — CID 161063080

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nsc1Cc1nc(C)cc(C)n1
InChIInChI=1S/C20H22N4OS/c1-5-15-8-6-7-9-16(15)23-20(25)19-14(4)24-26-17(19)11-18-21-12(2)10-13(3)22-18/h6-10H,5,11H2,1-4H3,(H,23,25)
InChIKeyUDQONKGBRJODIS-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.26
Rot. Bonds5

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

5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 161063080) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID161063080
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nsc1Cc1nc(C)cc(C)n1
InChIInChI=1S/C20H22N4OS/c1-5-15-8-6-7-9-16(15)23-20(25)19-14(4)24-26-17(19)11-18-21-12(2)10-13(3)22-18/h6-10H,5,11H2,1-4H3,(H,23,25)
InChIKeyUDQONKGBRJODIS-UHFFFAOYSA-N
XLogP4.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide
CID 158527756
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide
CID 90329749
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-ethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236414
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide (CID 161063080) is 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide is CCc1ccccc1NC(=O)c1c(C)nsc1Cc1nc(C)cc(C)n1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is UDQONKGBRJODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-5-15-8-6-7-9-16(15)23-20(25)19-14(4)24-26-17(19)11-18-21-12(2)10-13(3)22-18/h6-10H,5,11H2,1-4H3,(H,23,25).
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide?
5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 161063080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).