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

C14H14ClN3S — CID 170887891

IUPAC2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2cnc(Cl)s2)c2ccccc12
InChIInChI=1S/C14H14ClN3S/c15-14-17-7-11(19-14)9-18-8-10(5-6-16)12-3-1-2-4-13(12)18/h1-4,7-8H,5-6,9,16H2
InChIKeyITUBBXXYWGBTFT-UHFFFAOYSA-N
MW291.81 g/mol
LogP3.30
Rot. Bonds4

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

2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine (PubChem CID 170887891) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
PubChem CID170887891
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2cnc(Cl)s2)c2ccccc12
InChIInChI=1S/C14H14ClN3S/c15-14-17-7-11(19-14)9-18-8-10(5-6-16)12-3-1-2-4-13(12)18/h1-4,7-8H,5-6,9,16H2
InChIKeyITUBBXXYWGBTFT-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
CID 112644320
2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol
CID 170892903
4-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]butan-1-amine
CID 115979486
(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide
CID 170876902
5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
CID 79764556
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880619
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-(1-chloroindol-3-yl)ethanamine
CID 22722065

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine (CID 170887891) is 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine is NCCc1cn(Cc2cnc(Cl)s2)c2ccccc12.
What is the InChIKey of 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine?
The InChIKey is ITUBBXXYWGBTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c15-14-17-7-11(19-14)9-18-8-10(5-6-16)12-3-1-2-4-13(12)18/h1-4,7-8H,5-6,9,16H2.
What are the key properties of 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine?
2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine has a molecular weight of 291.81 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine is sourced from PubChem (CID 170887891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).