(3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide

C17H23N3O2S — CID 95273650

IUPAC(3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2nc(CN3CCC[C@H](C(=O)N(C)C)C3)cs2)o1
InChIInChI=1S/C17H23N3O2S/c1-12-6-7-15(22-12)16-18-14(11-23-16)10-20-8-4-5-13(9-20)17(21)19(2)3/h6-7,11,13H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeyCFCAVTDOALOUEB-ZDUSSCGKSA-N
MW333.46 g/mol
LogP3.01
Rot. Bonds4

About (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide

(3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 95273650) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID95273650
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2nc(CN3CCC[C@H](C(=O)N(C)C)C3)cs2)o1
InChIInChI=1S/C17H23N3O2S/c1-12-6-7-15(22-12)16-18-14(11-23-16)10-20-8-4-5-13(9-20)17(21)19(2)3/h6-7,11,13H,4-5,8-10H2,1-3H3/t13-/m0/s1
InChIKeyCFCAVTDOALOUEB-ZDUSSCGKSA-N
XLogP3.01
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55798738
(2R)-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine
CID 36954730
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
(2R,3R)-2-methyl-1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 122116283
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 119650689
(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 51964562
3,5-dimethyl-4-[[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 36944504
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119595120
2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide
CID 51132636
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215
(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide (CID 95273650) is (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide is Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)N(C)C)C3)cs2)o1.
What is the InChIKey of (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is CFCAVTDOALOUEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-6-7-15(22-12)16-18-14(11-23-16)10-20-8-4-5-13(9-20)17(21)19(2)3/h6-7,11,13H,4-5,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
(3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95273650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).