(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

C20H30N2O2S — CID 7361724

IUPAC(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CS[C@H](C(C)(C)C)N1C(=O)c1ccccc1C
InChIInChI=1S/C20H30N2O2S/c1-7-14(3)21-17(23)16-12-25-19(20(4,5)6)22(16)18(24)15-11-9-8-10-13(15)2/h8-11,14,16,19H,7,12H2,1-6H3,(H,21,23)/t14-,16-,19+/m0/s1
InChIKeyZCIVKBHPOMCYCB-URLQWDBASA-N
MW362.54 g/mol
LogP3.84
Rot. Bonds4

About (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 7361724) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID7361724
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CS[C@H](C(C)(C)C)N1C(=O)c1ccccc1C
InChIInChI=1S/C20H30N2O2S/c1-7-14(3)21-17(23)16-12-25-19(20(4,5)6)22(16)18(24)15-11-9-8-10-13(15)2/h8-11,14,16,19H,7,12H2,1-6H3,(H,21,23)/t14-,16-,19+/m0/s1
InChIKeyZCIVKBHPOMCYCB-URLQWDBASA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745281
(2S,4S)-3-(2-methylbenzoyl)-N-[(2S)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 6549185
3-(2-methylbenzoyl)-N-(4-phenylbutan-2-yl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 4536487
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099
3-(2-methylbenzoyl)-N-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744803
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744835
N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749131
N-butan-2-yl-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745410
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
(2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 7493155
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 6945921
2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744164

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 7361724) is (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is CC[C@H](C)NC(=O)[C@@H]1CS[C@H](C(C)(C)C)N1C(=O)c1ccccc1C.
What is the InChIKey of (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZCIVKBHPOMCYCB-URLQWDBASA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-7-14(3)21-17(23)16-12-25-19(20(4,5)6)22(16)18(24)15-11-9-8-10-13(15)2/h8-11,14,16,19H,7,12H2,1-6H3,(H,21,23)/t14-,16-,19+/m0/s1.
What are the key properties of (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 362.54 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7361724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).