N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine

C15H18N2S — CID 61331971

IUPACN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine
SMILESCCNC1(c2nc(C)cs2)Cc2ccccc2C1
InChIInChI=1S/C15H18N2S/c1-3-16-15(14-17-11(2)10-18-14)8-12-6-4-5-7-13(12)9-15/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyHTLVGRJAINRLFJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.06
Rot. Bonds3

About N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine

N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine (PubChem CID 61331971) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine
PubChem CID61331971
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine
SMILESCCNC1(c2nc(C)cs2)Cc2ccccc2C1
InChIInChI=1S/C15H18N2S/c1-3-16-15(14-17-11(2)10-18-14)8-12-6-4-5-7-13(12)9-15/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyHTLVGRJAINRLFJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine?
The IUPAC name of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine (CID 61331971) is N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine?
The canonical SMILES for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine is CCNC1(c2nc(C)cs2)Cc2ccccc2C1.
What is the InChIKey of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine?
The InChIKey is HTLVGRJAINRLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-3-16-15(14-17-11(2)10-18-14)8-12-6-4-5-7-13(12)9-15/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine?
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 61331971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).