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

C16H21N3S — CID 62651759

IUPACN-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C16H21N3S/c1-4-17-11(2)15-10-18-16(20-15)13-5-6-14-12(9-13)7-8-19(14)3/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyJVPITJRTQQWRIT-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.47
Rot. Bonds4

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

N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62651759) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62651759
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(-c2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C16H21N3S/c1-4-17-11(2)15-10-18-16(20-15)13-5-6-14-12(9-13)7-8-19(14)3/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyJVPITJRTQQWRIT-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Camalexin
CID 636970
Dimethyl-{2-[5-(5-methyl-thiophen-2-yl)-1H-indol-3-yl]-ethyl}-amine
CID 10016747
4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
CID 44523476
(2S)-N-(2,4-dimethylphenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636957
1H-Indole, 3-(2,5-dimethylthiazol-4-yl)-
CID 711824
US11420958, Ex. No. 199
CID 151023895
US11420958, Ex. No. 171
CID 151944290
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480
N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
CID 134809023
N,N-dipropyl-6-(1,3-thiazol-5-yl)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19956169
N,N-dipropyl-6-(1,3-thiazol-2-yl)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19956170
N,N-dipropyl-6-(1,3-thiazol-2-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 44210597

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine (CID 62651759) is N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(-c2ccc3c(c2)CCN3C)s1.
What is the InChIKey of N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JVPITJRTQQWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-4-17-11(2)15-10-18-16(20-15)13-5-6-14-12(9-13)7-8-19(14)3/h5-6,9-11,17H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62651759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).