N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide

C19H35N3O2S — CID 139474197

IUPACN-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(C2SCC(CCNC(=O)C(C)C)N2C)C1
InChIInChI=1S/C19H35N3O2S/c1-5-7-17(23)22-11-6-8-15(12-22)19-21(4)16(13-25-19)9-10-20-18(24)14(2)3/h14-16,19H,5-13H2,1-4H3,(H,20,24)
InChIKeyDPNZVQMXBZHQPX-UHFFFAOYSA-N
MW369.58 g/mol
LogP2.56
Rot. Bonds7

About N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide

N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide (PubChem CID 139474197) has the molecular formula C19H35N3O2S and a molecular weight of 369.58 g/mol. Its IUPAC name is N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide
PubChem CID139474197
Molecular FormulaC19H35N3O2S
Molecular Weight369.58 g/mol
Exact Mass369.24
IUPAC NameN-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(C2SCC(CCNC(=O)C(C)C)N2C)C1
InChIInChI=1S/C19H35N3O2S/c1-5-7-17(23)22-11-6-8-15(12-22)19-21(4)16(13-25-19)9-10-20-18(24)14(2)3/h14-16,19H,5-13H2,1-4H3,(H,20,24)
InChIKeyDPNZVQMXBZHQPX-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide with MolForge

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Related Compounds

Ngx-267
CID 10013505
2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 11528611
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CID 20919142
(S)-2-Ethyl-1-thia-4,8-diaza-spiro[4.5]decan-3-one
CID 9794221
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{1-[3-(methylthio)propanoyl]-4-piperidinyl}propanamide
CID 45208762
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]propanamide
CID 45244352
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]tetrahydrothiophen-3-amine
CID 50949036
1-cyclopentyl-4-[(tetrahydro-2H-thiopyran-4-ylamino)methyl]pyrrolidin-2-one
CID 50970230
1-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 71866083
4-acetyl-8-methyl-N-(3-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 126459032
(2R)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 9990391
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 2-ethyl-
CID 10352764

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide (CID 139474197) is N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide is CCCC(=O)N1CCCC(C2SCC(CCNC(=O)C(C)C)N2C)C1.
What is the InChIKey of N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is DPNZVQMXBZHQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2S/c1-5-7-17(23)22-11-6-8-15(12-22)19-21(4)16(13-25-19)9-10-20-18(24)14(2)3/h14-16,19H,5-13H2,1-4H3,(H,20,24).
What are the key properties of N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 369.58 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-butanoylpiperidin-3-yl)-3-methyl-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 139474197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).