N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H19N3S — CID 62094946

IUPACN-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C15H19N3S/c1-3-16-9-13-10-17-15(19-13)12-4-5-14-11(8-12)6-7-18(14)2/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyRHDVCSWJIMGMDN-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.91
Rot. Bonds4

About N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62094946) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62094946
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C15H19N3S/c1-3-16-9-13-10-17-15(19-13)12-4-5-14-11(8-12)6-7-18(14)2/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyRHDVCSWJIMGMDN-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62094946) is N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2ccc3c(c2)CCN3C)s1.
What is the InChIKey of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is RHDVCSWJIMGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-16-9-13-10-17-15(19-13)12-4-5-14-11(8-12)6-7-18(14)2/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 273.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62094946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).