3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide

C19H25FN2O3S — CID 166213699

IUPAC3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NC1COc2ccc(F)cc2C1
InChIInChI=1S/C19H25FN2O3S/c1-19(2,3)8-17(23)22-11-26-10-15(22)18(24)21-14-7-12-6-13(20)4-5-16(12)25-9-14/h4-6,14-15H,7-11H2,1-3H3,(H,21,24)
InChIKeyUPJQKNXVJGWUKW-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.58
Rot. Bonds3

About 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide

3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 166213699) has the molecular formula C19H25FN2O3S and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID166213699
Molecular FormulaC19H25FN2O3S
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NC1COc2ccc(F)cc2C1
InChIInChI=1S/C19H25FN2O3S/c1-19(2,3)8-17(23)22-11-26-10-15(22)18(24)21-14-7-12-6-13(20)4-5-16(12)25-9-14/h4-6,14-15H,7-11H2,1-3H3,(H,21,24)
InChIKeyUPJQKNXVJGWUKW-UHFFFAOYSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide (CID 166213699) is 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)CC(=O)N1CSCC1C(=O)NC1COc2ccc(F)cc2C1.
What is the InChIKey of 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UPJQKNXVJGWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3S/c1-19(2,3)8-17(23)22-11-26-10-15(22)18(24)21-14-7-12-6-13(20)4-5-16(12)25-9-14/h4-6,14-15H,7-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide?
3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 166213699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).