(4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide

C17H23N3O3S — CID 95152799

IUPAC(4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide
SMILESCC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C17H23N3O3S/c1-4-11(2)17(23)20-10-24-9-14(20)16(22)19-18-15(21)13-8-6-5-7-12(13)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)/t11-,14-/m1/s1
InChIKeyJYRFCYSOYDQMKC-BXUZGUMPSA-N
MW349.46 g/mol
LogP1.70
Rot. Bonds4

About (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide

(4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide (PubChem CID 95152799) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide.

Molecular Properties

Compound Name(4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide
PubChem CID95152799
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide
SMILESCC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C17H23N3O3S/c1-4-11(2)17(23)20-10-24-9-14(20)16(22)19-18-15(21)13-8-6-5-7-12(13)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)/t11-,14-/m1/s1
InChIKeyJYRFCYSOYDQMKC-BXUZGUMPSA-N
XLogP1.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 95151733
N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744376
(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 809737
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
2-methyl-N'-(2-methylcyclopropanecarbonyl)benzohydrazide
CID 47102090
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95340180
3-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 75554388
(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
CID 95287129
(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
CID 95145718

Frequently Asked Questions

What is the IUPAC name of (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide?
The IUPAC name of (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide (CID 95152799) is (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide.
What is the SMILES notation for (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide?
The canonical SMILES for (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide is CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1C.
What is the InChIKey of (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide?
The InChIKey is JYRFCYSOYDQMKC-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-11(2)17(23)20-10-24-9-14(20)16(22)19-18-15(21)13-8-6-5-7-12(13)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)/t11-,14-/m1/s1.
What are the key properties of (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide?
(4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide has a molecular weight of 349.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N'-(2-methylbenzoyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carbohydrazide is sourced from PubChem (CID 95152799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).