4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 53200041

IUPAC4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccnc(Nc2nc(C)c(C(=O)NCC3CCCO3)s2)c1
InChIInChI=1S/C16H20N4O2S/c1-10-5-6-17-13(8-10)20-16-19-11(2)14(23-16)15(21)18-9-12-4-3-7-22-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyAEOHLVCNSLOZKW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53200041) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID53200041
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccnc(Nc2nc(C)c(C(=O)NCC3CCCO3)s2)c1
InChIInChI=1S/C16H20N4O2S/c1-10-5-6-17-13(8-10)20-16-19-11(2)14(23-16)15(21)18-9-12-4-3-7-22-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyAEOHLVCNSLOZKW-UHFFFAOYSA-N
XLogP2.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 95394528
4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 40840716
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200035
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110341749
2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95082033
2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109167534
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 53200041) is 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ccnc(Nc2nc(C)c(C(=O)NCC3CCCO3)s2)c1.
What is the InChIKey of 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AEOHLVCNSLOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-5-6-17-13(8-10)20-16-19-11(2)14(23-16)15(21)18-9-12-4-3-7-22-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).