N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C15H18N2S — CID 43670189

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(C(C)NC2CCc3ccccc32)cs1
InChIInChI=1S/C15H18N2S/c1-10(15-9-18-11(2)17-15)16-14-8-7-12-5-3-4-6-13(12)14/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyKMFPOOLBLYKESX-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.79
Rot. Bonds3

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43670189) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43670189
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(C(C)NC2CCc3ccccc32)cs1
InChIInChI=1S/C15H18N2S/c1-10(15-9-18-11(2)17-15)16-14-8-7-12-5-3-4-6-13(12)14/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyKMFPOOLBLYKESX-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83117666
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine
CID 70248724
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54897773
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 43670189) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1nc(C(C)NC2CCc3ccccc32)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KMFPOOLBLYKESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10(15-9-18-11(2)17-15)16-14-8-7-12-5-3-4-6-13(12)14/h3-6,9-10,14,16H,7-8H2,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43670189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).