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

C18H33N3O2S — CID 153429400

IUPACN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(C2NC(CCNC(=O)C(C)C)CS2)C1
InChIInChI=1S/C18H33N3O2S/c1-4-6-16(22)21-10-5-7-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13(2)3/h13-15,18,20H,4-12H2,1-3H3,(H,19,23)
InChIKeySLALSPJNTBXXAS-UHFFFAOYSA-N
MW355.55 g/mol
LogP2.22
Rot. Bonds7

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

N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide (PubChem CID 153429400) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide
PubChem CID153429400
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC NameN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(C2NC(CCNC(=O)C(C)C)CS2)C1
InChIInChI=1S/C18H33N3O2S/c1-4-6-16(22)21-10-5-7-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13(2)3/h13-15,18,20H,4-12H2,1-3H3,(H,19,23)
InChIKeySLALSPJNTBXXAS-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919142
(S)-2-Ethyl-1-thia-4,8-diaza-spiro[4.5]decan-3-one
CID 9794221
N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 811471
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide (CID 153429400) is N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide is CCCC(=O)N1CCCC(C2NC(CCNC(=O)C(C)C)CS2)C1.
What is the InChIKey of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is SLALSPJNTBXXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c1-4-6-16(22)21-10-5-7-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13(2)3/h13-15,18,20H,4-12H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide?
N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 355.55 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 153429400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).