3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C16H28N2O2S — CID 4984599

IUPAC3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(CC(C)C)SCC1C(=O)NC1CCCCC1
InChIInChI=1S/C16H28N2O2S/c1-11(2)9-15-18(12(3)19)14(10-21-15)16(20)17-13-7-5-4-6-8-13/h11,13-15H,4-10H2,1-3H3,(H,17,20)
InChIKeyJYXAXHDWBVBSOR-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.77
Rot. Bonds4

About 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4984599) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4984599
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(CC(C)C)SCC1C(=O)NC1CCCCC1
InChIInChI=1S/C16H28N2O2S/c1-11(2)9-15-18(12(3)19)14(10-21-15)16(20)17-13-7-5-4-6-8-13/h11,13-15H,4-10H2,1-3H3,(H,17,20)
InChIKeyJYXAXHDWBVBSOR-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748095
(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 809786
(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 7323775
N-butyl-3-(3-methylbut-2-enoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745347
3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4573401
N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744161
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 126005957
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 40515594
N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748094
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 4984599) is 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1C(CC(C)C)SCC1C(=O)NC1CCCCC1.
What is the InChIKey of 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JYXAXHDWBVBSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-11(2)9-15-18(12(3)19)14(10-21-15)16(20)17-13-7-5-4-6-8-13/h11,13-15H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4984599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).