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

C30H33F6N3S — CID 10416397

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccs1)CCC2
InChIInChI=1S/C30H33F6N3S/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
InChIKeyIKDIBEGGLDUGGG-UHFFFAOYSA-N
MW581.67 g/mol
LogP8.89
Rot. Bonds9

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

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 (PubChem CID 10416397) has the molecular formula C30H33F6N3S and a molecular weight of 581.67 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.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID10416397
Molecular FormulaC30H33F6N3S
Molecular Weight581.67 g/mol
Exact Mass581.23
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccs1)CCC2
InChIInChI=1S/C30H33F6N3S/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
InChIKeyIKDIBEGGLDUGGG-UHFFFAOYSA-N
XLogP8.89
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.67
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

(3R,4S)-1-[(2-fluoro-6-methylphenyl)methyl]-N,N-dimethyl-4-[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyrrolidin-3-amine
CID 137657149
3-[[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-5-(trifluoromethyl)benzonitrile
CID 9985412
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;hydrochloride
CID 10009401
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
3-[[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl-(4-methyl-1,3-thiazol-2-yl)amino]methyl]-5-(trifluoromethyl)benzonitrile;hydrochloride
CID 10077095
3-[[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl-(4-methyl-1,3-thiazol-2-yl)amino]methyl]-5-(trifluoromethyl)benzonitrile
CID 10077096
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,3-thiazol-2-amine;hydrochloride
CID 10100549
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1,3-thiazol-2-amine
CID 10100550
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 10326684
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 10326685
3-[[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl-(1,3-thiazol-2-yl)amino]methyl]-5-(trifluoromethyl)benzonitrile;hydrochloride
CID 10415739
3-[[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl-(1,3-thiazol-2-yl)amino]methyl]-5-(trifluoromethyl)benzonitrile
CID 10415740

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?
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 (CID 10416397) 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.
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?
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 is CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccs1)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]-1,3-thiazol-2-amine?
The InChIKey is IKDIBEGGLDUGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F6N3S/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.
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?
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 has a molecular weight of 581.67 g/mol, XLogP of 8.89, 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 is sourced from PubChem (CID 10416397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).