1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine

C16H19N3S — CID 66408636

IUPAC1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCCc1nc(Cn2cc(CNC)c3ccccc32)cs1
InChIInChI=1S/C16H19N3S/c1-3-16-18-13(11-20-16)10-19-9-12(8-17-2)14-6-4-5-7-15(14)19/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyURVWJFFLUISECW-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.43
Rot. Bonds5

About 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine

1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine (PubChem CID 66408636) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
PubChem CID66408636
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCCc1nc(Cn2cc(CNC)c3ccccc32)cs1
InChIInChI=1S/C16H19N3S/c1-3-16-18-13(11-20-16)10-19-9-12(8-17-2)14-6-4-5-7-15(14)19/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyURVWJFFLUISECW-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
CID 66410337
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407767
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
CID 102913727
N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine
CID 66408430
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66408642
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66407982
N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
CID 66408219
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102856737
4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
CID 116623853

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine (CID 66408636) is 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine is CCc1nc(Cn2cc(CNC)c3ccccc32)cs1.
What is the InChIKey of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine?
The InChIKey is URVWJFFLUISECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-16-18-13(11-20-16)10-19-9-12(8-17-2)14-6-4-5-7-15(14)19/h4-7,9,11,17H,3,8,10H2,1-2H3.
What are the key properties of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine?
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66408636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).