N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine

C15H17N3S — CID 102913946

IUPACN-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine
SMILESCNCc1cccc2ccn(Cc3cnc(C)s3)c12
InChIInChI=1S/C15H17N3S/c1-11-17-9-14(19-11)10-18-7-6-12-4-3-5-13(8-16-2)15(12)18/h3-7,9,16H,8,10H2,1-2H3
InChIKeyAUUIOMINTUTJPN-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.17
Rot. Bonds4

About N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine

N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine (PubChem CID 102913946) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine
PubChem CID102913946
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine
SMILESCNCc1cccc2ccn(Cc3cnc(C)s3)c12
InChIInChI=1S/C15H17N3S/c1-11-17-9-14(19-11)10-18-7-6-12-4-3-5-13(8-16-2)15(12)18/h3-7,9,16H,8,10H2,1-2H3
InChIKeyAUUIOMINTUTJPN-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine
CID 102914218
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
CID 102913749
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402917
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carbonitrile
CID 114015637
2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide
CID 102913928
5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 116624074
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carboxylic acid
CID 63749308
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
CID 102914869
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine (CID 102913946) is N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine is CNCc1cccc2ccn(Cc3cnc(C)s3)c12.
What is the InChIKey of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine?
The InChIKey is AUUIOMINTUTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-17-9-14(19-11)10-18-7-6-12-4-3-5-13(8-16-2)15(12)18/h3-7,9,16H,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine?
N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine has a molecular weight of 271.39 g/mol, XLogP of 3.17, 4 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-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine is sourced from PubChem (CID 102913946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).