(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide

C19H28N2O2S — CID 7495246

IUPAC(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1[C@H](CCC)SC[C@@H]1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H28N2O2S/c1-4-6-8-17(22)21-16(13-24-18(21)7-5-2)19(23)20-15-11-9-14(3)10-12-15/h9-12,16,18H,4-8,13H2,1-3H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyWSSDKTOSBGAPHX-AEFFLSMTSA-N
MW348.51 g/mol
LogP4.19
Rot. Bonds7

About (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide

(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7495246) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID7495246
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1[C@H](CCC)SC[C@@H]1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H28N2O2S/c1-4-6-8-17(22)21-16(13-24-18(21)7-5-2)19(23)20-15-11-9-14(3)10-12-15/h9-12,16,18H,4-8,13H2,1-3H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyWSSDKTOSBGAPHX-AEFFLSMTSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495247
N-(4-methylphenyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3881562
N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744453
(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 7437961
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4573401
N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 3349910
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
N-(4-methylphenyl)pentanamide
CID 3662375
2-pentyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728675
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide (CID 7495246) is (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide is CCCCC(=O)N1[C@H](CCC)SC[C@@H]1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is WSSDKTOSBGAPHX-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-4-6-8-17(22)21-16(13-24-18(21)7-5-2)19(23)20-15-11-9-14(3)10-12-15/h9-12,16,18H,4-8,13H2,1-3H3,(H,20,23)/t16-,18+/m1/s1.
What are the key properties of (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide?
(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7495246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).