(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C16H16N2O2S2 — CID 809777

IUPAC(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-15(17-9-12-5-2-1-3-6-12)13-10-21-11-18(13)16(20)14-7-4-8-22-14/h1-8,13H,9-11H2,(H,17,19)/t13-/m1/s1
InChIKeyDEHBRSLPFOHBKS-CYBMUJFWSA-N
MW332.45 g/mol
LogP2.58
Rot. Bonds4

About (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 809777) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID809777
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-15(17-9-12-5-2-1-3-6-12)13-10-21-11-18(13)16(20)14-7-4-8-22-14/h1-8,13H,9-11H2,(H,17,19)/t13-/m1/s1
InChIKeyDEHBRSLPFOHBKS-CYBMUJFWSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-benzyl-3-(5-methyl-4-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 31993614
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4S)-N-benzyl-3-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 31982484
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 24674548
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 31988319
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate
CID 166597024
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508

Frequently Asked Questions

What is the IUPAC name of (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 809777) is (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1cccs1.
What is the InChIKey of (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DEHBRSLPFOHBKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c19-15(17-9-12-5-2-1-3-6-12)13-10-21-11-18(13)16(20)14-7-4-8-22-14/h1-8,13H,9-11H2,(H,17,19)/t13-/m1/s1.
What are the key properties of (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 809777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).