(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide

C17H29N3OS — CID 99812562

IUPAC(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C17H29N3OS/c1-11-7-8-12(2)20(9-11)16(21)18-13(3)15-19-14(10-22-15)17(4,5)6/h10-13H,7-9H2,1-6H3,(H,18,21)/t11-,12-,13+/m1/s1
InChIKeyQNRVGNUFCRYPJL-UPJWGTAASA-N
MW323.51 g/mol
LogP4.33
Rot. Bonds2

About (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide

(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide (PubChem CID 99812562) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
PubChem CID99812562
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C17H29N3OS/c1-11-7-8-12(2)20(9-11)16(21)18-13(3)15-19-14(10-22-15)17(4,5)6/h10-13H,7-9H2,1-6H3,(H,18,21)/t11-,12-,13+/m1/s1
InChIKeyQNRVGNUFCRYPJL-UPJWGTAASA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887
2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372810
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126793713
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95297523
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethylpiperidin-1-yl)methanone
CID 66389004
2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide
CID 95614206
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
(1R,2S,3S,4R)-3-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773931
(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941258
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506063

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide (CID 99812562) is (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide is C[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
The InChIKey is QNRVGNUFCRYPJL-UPJWGTAASA-N. The full InChI is InChI=1S/C17H29N3OS/c1-11-7-8-12(2)20(9-11)16(21)18-13(3)15-19-14(10-22-15)17(4,5)6/h10-13H,7-9H2,1-6H3,(H,18,21)/t11-,12-,13+/m1/s1.
What are the key properties of (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide has a molecular weight of 323.51 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 99812562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).