N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine

C14H15N3S — CID 107236288

IUPACN-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCn1cc(CNCc2cncs2)c2ccccc21
InChIInChI=1S/C14H15N3S/c1-17-9-11(13-4-2-3-5-14(13)17)6-15-7-12-8-16-10-18-12/h2-5,8-10,15H,6-7H2,1H3
InChIKeyJCBBXWWMQHMUBY-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.92
Rot. Bonds4

About N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine

N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 107236288) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
PubChem CID107236288
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCn1cc(CNCc2cncs2)c2ccccc21
InChIInChI=1S/C14H15N3S/c1-17-9-11(13-4-2-3-5-14(13)17)6-15-7-12-8-16-10-18-12/h2-5,8-10,15H,6-7H2,1H3
InChIKeyJCBBXWWMQHMUBY-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
CID 166321610
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine (CID 107236288) is N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine is Cn1cc(CNCc2cncs2)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is JCBBXWWMQHMUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-17-9-11(13-4-2-3-5-14(13)17)6-15-7-12-8-16-10-18-12/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 257.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 107236288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).