1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile

C13H9N3S — CID 107920256

IUPAC1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2cncs2)c1
InChIInChI=1S/C13H9N3S/c14-6-10-1-2-13-11(5-10)3-4-16(13)8-12-7-15-9-17-12/h1-5,7,9H,8H2
InChIKeyXJZADMYZHOHUAK-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.02
Rot. Bonds2

About 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile

1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile (PubChem CID 107920256) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
PubChem CID107920256
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2cncs2)c1
InChIInChI=1S/C13H9N3S/c14-6-10-1-2-13-11(5-10)3-4-16(13)8-12-7-15-9-17-12/h1-5,7,9H,8H2
InChIKeyXJZADMYZHOHUAK-UHFFFAOYSA-N
XLogP3.02
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(R)-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-phenylthiazole
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6-Fluoro-2-(1-methylindol-5-yl)-1,3-benzothiazole
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5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile
CID 162657318
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
CID 162658964
3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile
CID 8900390
4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
CID 44523476
3-heptyl-2-[(E)-2-(4-pyrrol-1-ylphenyl)ethenyl]-1,3-benzothiazol-3-ium
CID 57396220
5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
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CID 14810922

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile (CID 107920256) is 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile is N#Cc1ccc2c(ccn2Cc2cncs2)c1.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile?
The InChIKey is XJZADMYZHOHUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c14-6-10-1-2-13-11(5-10)3-4-16(13)8-12-7-15-9-17-12/h1-5,7,9H,8H2.
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile?
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile has a molecular weight of 239.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile is sourced from PubChem (CID 107920256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).