2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide

C13H10F2N2OS — CID 140712027

IUPAC2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2CCc3c(F)cc(F)cc32)s1
InChIInChI=1S/C13H10F2N2OS/c14-6-3-9-7(10(15)4-6)1-2-8(9)13-17-5-11(19-13)12(16)18/h3-5,8H,1-2H2,(H2,16,18)/t8-/m1/s1
InChIKeyKVVRMVDNHHENHC-MRVPVSSYSA-N
MW280.30 g/mol
LogP2.60
Rot. Bonds2

About 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide

2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 140712027) has the molecular formula C13H10F2N2OS and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID140712027
Molecular FormulaC13H10F2N2OS
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2CCc3c(F)cc(F)cc32)s1
InChIInChI=1S/C13H10F2N2OS/c14-6-3-9-7(10(15)4-6)1-2-8(9)13-17-5-11(19-13)12(16)18/h3-5,8H,1-2H2,(H2,16,18)/t8-/m1/s1
InChIKeyKVVRMVDNHHENHC-MRVPVSSYSA-N
XLogP2.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide (CID 140712027) is 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc([C@@H]2CCc3c(F)cc(F)cc32)s1.
What is the InChIKey of 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KVVRMVDNHHENHC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H10F2N2OS/c14-6-3-9-7(10(15)4-6)1-2-8(9)13-17-5-11(19-13)12(16)18/h3-5,8H,1-2H2,(H2,16,18)/t8-/m1/s1.
What are the key properties of 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide?
2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 140712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).