2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine

C15H17N3S — CID 102917439

IUPAC2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine
SMILESCc1nc(Cn2ccc3cc(CCN)ccc32)cs1
InChIInChI=1S/C15H17N3S/c1-11-17-14(10-19-11)9-18-7-5-13-8-12(4-6-16)2-3-15(13)18/h2-3,5,7-8,10H,4,6,9,16H2,1H3
InChIKeyDTWOIBHJFTWBTN-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.96
Rot. Bonds4

About 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine

2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine (PubChem CID 102917439) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine
PubChem CID102917439
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine
SMILESCc1nc(Cn2ccc3cc(CCN)ccc32)cs1
InChIInChI=1S/C15H17N3S/c1-11-17-14(10-19-11)9-18-7-5-13-8-12(4-6-16)2-3-15(13)18/h2-3,5,7-8,10H,4,6,9,16H2,1H3
InChIKeyDTWOIBHJFTWBTN-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
CID 102917572
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
CID 102917406
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
CID 107053881
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol
CID 102912636
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112094
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 63787345

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine (CID 102917439) is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine is Cc1nc(Cn2ccc3cc(CCN)ccc32)cs1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine?
The InChIKey is DTWOIBHJFTWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-17-14(10-19-11)9-18-7-5-13-8-12(4-6-16)2-3-15(13)18/h2-3,5,7-8,10H,4,6,9,16H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine?
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine is sourced from PubChem (CID 102917439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).