(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide

C16H15FN2O3S — CID 99786132

IUPAC(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)Cc1ccoc1
InChIInChI=1S/C16H15FN2O3S/c17-12-2-1-3-13(7-12)18-16(21)14-9-23-10-19(14)15(20)6-11-4-5-22-8-11/h1-5,7-8,14H,6,9-10H2,(H,18,21)/t14-/m1/s1
InChIKeyAEIUFRHMGIQMTA-CQSZACIVSA-N
MW334.37 g/mol
LogP2.50
Rot. Bonds4

About (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 99786132) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID99786132
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)Cc1ccoc1
InChIInChI=1S/C16H15FN2O3S/c17-12-2-1-3-13(7-12)18-16(21)14-9-23-10-19(14)15(20)6-11-4-5-22-8-11/h1-5,7-8,14H,6,9-10H2,(H,18,21)/t14-/m1/s1
InChIKeyAEIUFRHMGIQMTA-CQSZACIVSA-N
XLogP2.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 72693701
3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 75384637
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224881
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 95274262
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95326882
(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide (CID 99786132) is (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)Cc1ccoc1.
What is the InChIKey of (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is AEIUFRHMGIQMTA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c17-12-2-1-3-13(7-12)18-16(21)14-9-23-10-19(14)15(20)6-11-4-5-22-8-11/h1-5,7-8,14H,6,9-10H2,(H,18,21)/t14-/m1/s1.
What are the key properties of (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 99786132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).