2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide

C14H23N3OS — CID 94115528

IUPAC2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCN2CCC[C@H](C)C2)s1
InChIInChI=1S/C14H23N3OS/c1-10-5-4-7-17(9-10)8-6-15-14(18)13-11(2)16-12(3)19-13/h10H,4-9H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyPZZVLHWUQJIMAQ-JTQLQIEISA-N
MW281.42 g/mol
LogP2.22
Rot. Bonds4

About 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 94115528) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID94115528
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCN2CCC[C@H](C)C2)s1
InChIInChI=1S/C14H23N3OS/c1-10-5-4-7-17(9-10)8-6-15-14(18)13-11(2)16-12(3)19-13/h10H,4-9H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyPZZVLHWUQJIMAQ-JTQLQIEISA-N
XLogP2.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55715502
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55723575
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
1-[4-methyl-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82427688
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 163091626
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 46965126

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 94115528) is 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCN2CCC[C@H](C)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PZZVLHWUQJIMAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-5-4-7-17(9-10)8-6-15-14(18)13-11(2)16-12(3)19-13/h10H,4-9H2,1-3H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94115528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).