N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C30H34ClF6N3S — CID 10416396

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 10416396) has the molecular formula C30H34ClF6N3S and a molecular weight of 618.13 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
• PubChem CID: 10416396
• Molecular Formula: C30H34ClF6N3S
• Molecular Weight: 618.13 g/mol
• Exact Mass: 617.21
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
• SMILES: CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccs1)CCC2.Cl
• InChI: InChI=1S/C30H33F6N3S.ClH/c1-2-38(17-20-6-3-4-7-20)27-15-23-9-5-8-22(23)14-24(27)19-39(28-37-10-11-40-28)18-21-12-25(29(31,32)33)16-26(13-21)30(34,35)36;/h10-16,20H,2-9,17-19H2,1H3;1H
• InChIKey: HHHCXWONLZWTBU-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 19.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.13
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 10416396) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccs1)CCC2.Cl.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The InChIKey is HHHCXWONLZWTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F6N3S.ClH/c1-2-38(17-20-6-3-4-7-20)27-15-23-9-5-8-22(23)14-24(27)19-39(28-37-10-11-40-28)18-21-12-25(29(31,32)33)16-26(13-21)30(34,35)36;/h10-16,20H,2-9,17-19H2,1H3;1H.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 618.13 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 10416396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).