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

C15H18N2S — CID 71916244

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3ccccc32)cs1
InChIInChI=1S/C15H18N2S/c1-11-17-13(10-18-11)8-9-16-15-7-6-12-4-2-3-5-14(12)15/h2-5,10,15-16H,6-9H2,1H3
InChIKeyHOIDUJKQYZZXOW-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.27
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 71916244) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID71916244
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3ccccc32)cs1
InChIInChI=1S/C15H18N2S/c1-11-17-13(10-18-11)8-9-16-15-7-6-12-4-2-3-5-14(12)15/h2-5,10,15-16H,6-9H2,1H3
InChIKeyHOIDUJKQYZZXOW-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777234
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777124
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
N-[(2-cyclopropylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103739282
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43670189
(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 31558709
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111933627
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 106045358
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113349085
N-(2-pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43193645
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47147849

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 71916244) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1nc(CCNC2CCc3ccccc32)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HOIDUJKQYZZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-17-13(10-18-11)8-9-16-15-7-6-12-4-2-3-5-14(12)15/h2-5,10,15-16H,6-9H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-(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 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 71916244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).