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

C21H18ClN3O2S — CID 118935954

IUPACN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ccccc1CN(C(=O)c1nccs1)[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C21H18ClN3O2S/c22-15-7-5-13-6-8-18(17(13)11-15)25(21(27)20-24-9-10-28-20)12-14-3-1-2-4-16(14)19(23)26/h1-5,7,9-11,18H,6,8,12H2,(H2,23,26)/t18-/m1/s1
InChIKeyJUMPRIJEGZTAJF-GOSISDBHSA-N
MW411.91 g/mol
LogP4.23
Rot. Bonds5

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

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide (PubChem CID 118935954) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
PubChem CID118935954
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ccccc1CN(C(=O)c1nccs1)[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C21H18ClN3O2S/c22-15-7-5-13-6-8-18(17(13)11-15)25(21(27)20-24-9-10-28-20)12-14-3-1-2-4-16(14)19(23)26/h1-5,7,9-11,18H,6,8,12H2,(H2,23,26)/t18-/m1/s1
InChIKeyJUMPRIJEGZTAJF-GOSISDBHSA-N
XLogP4.23
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-Chloro-4-fluorophenyl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840480
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-thiazole-4-carboxamide
CID 87055538
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118935097
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118935098
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118935100
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 118935165
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 118935167
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 118935169
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide
CID 118935406
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide
CID 118935407
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide
CID 118935409
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-thiazole-4-carboxamide
CID 118935594

Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide (CID 118935954) is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide is NC(=O)c1ccccc1CN(C(=O)c1nccs1)[C@@H]1CCc2ccc(Cl)cc21.
What is the InChIKey of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is JUMPRIJEGZTAJF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c22-15-7-5-13-6-8-18(17(13)11-15)25(21(27)20-24-9-10-28-20)12-14-3-1-2-4-16(14)19(23)26/h1-5,7,9-11,18H,6,8,12H2,(H2,23,26)/t18-/m1/s1.
What are the key properties of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide?
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 411.91 g/mol, XLogP of 4.23, 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)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118935954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).