2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile

C13H10N2S2 — CID 116889966

IUPAC2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc3c(c2)CCCS3)n1
InChIInChI=1S/C13H10N2S2/c14-7-11-8-17-13(15-11)10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,8H,1-2,5H2
InChIKeyWZEFQNJEHWEDDC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.72
Rot. Bonds1

About 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile

2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile (PubChem CID 116889966) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile
PubChem CID116889966
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc3c(c2)CCCS3)n1
InChIInChI=1S/C13H10N2S2/c14-7-11-8-17-13(15-11)10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,8H,1-2,5H2
InChIKeyWZEFQNJEHWEDDC-UHFFFAOYSA-N
XLogP3.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile 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

2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
5-(3,4-dihydro-2H-thiochromen-6-yl)-1H-imidazole-2-carbonitrile
CID 116879933
2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889919
4-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-2-amine
CID 116832451
2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889911
5-(3,4-dihydro-2H-thiochromen-6-yl)-1H-pyrazole
CID 116869078
1-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylcyclopropane-1-carbonitrile
CID 116842213
2-(3-chloro-4-ethoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 116889928
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-amine
CID 116864191
6-(3,4-dihydro-2H-thiochromen-6-yl)pyrimidine-4-carbaldehyde
CID 116857789
2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetic acid
CID 59385154
1-[(3,4-dihydro-2H-thiochromen-6-ylmethylamino)methyl]cyclopropane-1-carbonitrile
CID 115242294

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile (CID 116889966) is 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile is N#Cc1csc(-c2ccc3c(c2)CCCS3)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile?
The InChIKey is WZEFQNJEHWEDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c14-7-11-8-17-13(15-11)10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,8H,1-2,5H2.
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile?
2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 116889966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).