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

C21H17F2N3O2S — CID 118935100

IUPACN-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ccccc1CN(C(=O)c1nccs1)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C21H17F2N3O2S/c22-13-9-16-15(17(23)10-13)5-6-18(16)26(21(28)20-25-7-8-29-20)11-12-3-1-2-4-14(12)19(24)27/h1-4,7-10,18H,5-6,11H2,(H2,24,27)/t18-/m1/s1
InChIKeyOUWFQQQTADCMAP-GOSISDBHSA-N
MW413.45 g/mol
LogP3.85
Rot. Bonds5

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

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide (PubChem CID 118935100) has the molecular formula C21H17F2N3O2S and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
PubChem CID118935100
Molecular FormulaC21H17F2N3O2S
Molecular Weight413.45 g/mol
Exact Mass413.10
IUPAC NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ccccc1CN(C(=O)c1nccs1)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C21H17F2N3O2S/c22-13-9-16-15(17(23)10-13)5-6-18(16)26(21(28)20-25-7-8-29-20)11-12-3-1-2-4-14(12)19(24)27/h1-4,7-10,18H,5-6,11H2,(H2,24,27)/t18-/m1/s1
InChIKeyOUWFQQQTADCMAP-GOSISDBHSA-N
XLogP3.85
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide (CID 118935100) is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide is NC(=O)c1ccccc1CN(C(=O)c1nccs1)[C@@H]1CCc2c(F)cc(F)cc21.
What is the InChIKey of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is OUWFQQQTADCMAP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17F2N3O2S/c22-13-9-16-15(17(23)10-13)5-6-18(16)26(21(28)20-25-7-8-29-20)11-12-3-1-2-4-14(12)19(24)27/h1-4,7-10,18H,5-6,11H2,(H2,24,27)/t18-/m1/s1.
What are the key properties of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118935100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).