N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C23H22F3N3O2S — CID 146047494

IUPACN-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC[C@H](O)CNC1Cc2ccccc2C1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C23H22F3N3O2S/c24-23(25,26)17-7-5-14(6-8-17)22-29-13-20(32-22)21(31)28-12-19(30)11-27-18-9-15-3-1-2-4-16(15)10-18/h1-8,13,18-19,27,30H,9-12H2,(H,28,31)/t19-/m1/s1
InChIKeyQXVUUOAASZRWSD-LJQANCHMSA-N
MW461.51 g/mol
LogP3.68
Rot. Bonds7

About N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 146047494) has the molecular formula C23H22F3N3O2S and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID146047494
Molecular FormulaC23H22F3N3O2S
Molecular Weight461.51 g/mol
Exact Mass461.14
IUPAC NameN-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC[C@H](O)CNC1Cc2ccccc2C1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C23H22F3N3O2S/c24-23(25,26)17-7-5-14(6-8-17)22-29-13-20(32-22)21(31)28-12-19(30)11-27-18-9-15-3-1-2-4-16(15)10-18/h1-8,13,18-19,27,30H,9-12H2,(H,28,31)/t19-/m1/s1
InChIKeyQXVUUOAASZRWSD-LJQANCHMSA-N
XLogP3.68
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 58319286
N-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]-1,3-thiazole-5-carboxamide
CID 69921382
N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 132058352
N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 132058353
2-[2-[4-(Trifluoromethyl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
CID 145388939
N-[(1R)-1-[4-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]ethyl]-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 177762076
N-[(1R)-1-[4-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[hydroxy-(4-methyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 177951952
N-(2-hydroxyethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 20060269
N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]acetamide
CID 42570316
N-[1-(2-fluorophenyl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
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2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 146047494) is N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is O=C(NC[C@H](O)CNC1Cc2ccccc2C1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QXVUUOAASZRWSD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22F3N3O2S/c24-23(25,26)17-7-5-14(6-8-17)22-29-13-20(32-22)21(31)28-12-19(30)11-27-18-9-15-3-1-2-4-16(15)10-18/h1-8,13,18-19,27,30H,9-12H2,(H,28,31)/t19-/m1/s1.
What are the key properties of N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 461.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146047494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).