2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

C15H20N4OS2 — CID 164639669

IUPAC2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCCN(c3nccs3)C2)s1
InChIInChI=1S/C15H20N4OS2/c1-10-13(22-11(2)18-10)14(20)17-8-12-4-3-6-19(9-12)15-16-5-7-21-15/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyIPYOJTZNXJQJSI-GFCCVEGCSA-N
MW336.49 g/mol
LogP2.86
Rot. Bonds4

About 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 164639669) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID164639669
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCCN(c3nccs3)C2)s1
InChIInChI=1S/C15H20N4OS2/c1-10-13(22-11(2)18-10)14(20)17-8-12-4-3-6-19(9-12)15-16-5-7-21-15/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyIPYOJTZNXJQJSI-GFCCVEGCSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-Piperidin-1-ylmethyl-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44397571
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47046086
N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47188445
2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 48983117
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
2-isopropyl-4-methyl-N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-1,3-thiazole-5-carboxamide
CID 72896227
(2-Amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72918627
N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 95828620
1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 49676992
2,4-dimethyl-N-((1-(thiazol-2-yl)pyrrolidin-2-yl)methyl)thiazole-5-carboxamide
CID 76148884
(4-Methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47284206
2-[acetyl(propan-2-yl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 49655898

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 164639669) is 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@H]2CCCN(c3nccs3)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IPYOJTZNXJQJSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-10-13(22-11(2)18-10)14(20)17-8-12-4-3-6-19(9-12)15-16-5-7-21-15/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 336.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164639669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).