N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

C32H37F6N3S — CID 10009402

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 10009402) has the molecular formula C32H37F6N3S and a molecular weight of 609.72 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]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
• PubChem CID: 10009402
• Molecular Formula: C32H37F6N3S
• Molecular Weight: 609.72 g/mol
• Exact Mass: 609.26
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
• SMILES: CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C)c(C)s1)CCC2
• InChI: InChI=1S/C32H37F6N3S/c1-4-40(17-22-8-5-6-9-22)29-15-25-11-7-10-24(25)14-26(29)19-41(30-39-20(2)21(3)42-30)18-23-12-27(31(33,34)35)16-28(13-23)32(36,37)38/h12-16,22H,4-11,17-19H2,1-3H3
• InChIKey: GROVRRWISOXHAA-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 19.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.72
LogP ≤ 5	9.51
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]-4,5-dimethyl-1,3-thiazol-2-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 10009402) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine.

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]-4,5-dimethyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine is CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C)c(C)s1)CCC2.

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]-4,5-dimethyl-1,3-thiazol-2-amine?

The InChIKey is GROVRRWISOXHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F6N3S/c1-4-40(17-22-8-5-6-9-22)29-15-25-11-7-10-24(25)14-26(29)19-41(30-39-20(2)21(3)42-30)18-23-12-27(31(33,34)35)16-28(13-23)32(36,37)38/h12-16,22H,4-11,17-19H2,1-3H3.

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]-4,5-dimethyl-1,3-thiazol-2-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 609.72 g/mol, XLogP of 9.51, 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]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10009402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).