N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine

C17H21N3S — CID 102913727

IUPACN-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
SMILESCCCc1nc(Cn2ccc3cccc(CNC)c32)cs1
InChIInChI=1S/C17H21N3S/c1-3-5-16-19-15(12-21-16)11-20-9-8-13-6-4-7-14(10-18-2)17(13)20/h4,6-9,12,18H,3,5,10-11H2,1-2H3
InChIKeyFKGPIHFXBDJORK-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.82
Rot. Bonds6

About N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine

N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine (PubChem CID 102913727) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
PubChem CID102913727
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
SMILESCCCc1nc(Cn2ccc3cccc(CNC)c32)cs1
InChIInChI=1S/C17H21N3S/c1-3-5-16-19-15(12-21-16)11-20-9-8-13-6-4-7-14(10-18-2)17(13)20/h4,6-9,12,18H,3,5,10-11H2,1-2H3
InChIKeyFKGPIHFXBDJORK-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
CID 116623853
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167
4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664492
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66408636
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
2-ethyl-4-[(7-nitroindol-1-yl)methyl]-1,3-thiazole
CID 75469975
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine
CID 102914020
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
CID 66346852
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
CID 102913749
2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine (CID 102913727) is N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine is CCCc1nc(Cn2ccc3cccc(CNC)c32)cs1.
What is the InChIKey of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine?
The InChIKey is FKGPIHFXBDJORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-5-16-19-15(12-21-16)11-20-9-8-13-6-4-7-14(10-18-2)17(13)20/h4,6-9,12,18H,3,5,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine?
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine has a molecular weight of 299.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine is sourced from PubChem (CID 102913727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).