1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile

C14H12N2S — CID 112645128

IUPAC1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(Cc2cncs2)CCc2ccccc21
InChIInChI=1S/C14H12N2S/c15-9-14(7-12-8-16-10-17-12)6-5-11-3-1-2-4-13(11)14/h1-4,8,10H,5-7H2
InChIKeyBMBMBJTWOQSVPE-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.09
Rot. Bonds2

About 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile

1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 112645128) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID112645128
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(Cc2cncs2)CCc2ccccc21
InChIInChI=1S/C14H12N2S/c15-9-14(7-12-8-16-10-17-12)6-5-11-3-1-2-4-13(11)14/h1-4,8,10H,5-7H2
InChIKeyBMBMBJTWOQSVPE-UHFFFAOYSA-N
XLogP3.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 112645153
(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
CID 6925451
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 65408435
1-butyl-2,3-dihydroindene-1-carbonitrile
CID 65408816
1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
CID 114280383
1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
CID 65407473
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile
CID 65407281
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114934729
2-(1,3-thiazol-5-ylmethyl)thiolane-2-carbonitrile
CID 112645135
1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
CID 65409010
4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carbonitrile
CID 112645121
1-[(3-bromophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376816

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile (CID 112645128) is 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile is N#CC1(Cc2cncs2)CCc2ccccc21.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is BMBMBJTWOQSVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-9-14(7-12-8-16-10-17-12)6-5-11-3-1-2-4-13(11)14/h1-4,8,10H,5-7H2.
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile?
1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 112645128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).