2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole

C14H16N2S — CID 58939442

IUPAC2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
SMILESCC1(C)/C(=C/C2=NCCS2)Nc2ccccc21
InChIInChI=1S/C14H16N2S/c1-14(2)10-5-3-4-6-11(10)16-12(14)9-13-15-7-8-17-13/h3-6,9,16H,7-8H2,1-2H3/b12-9-
InChIKeyFQMPIGMLTICSSB-XFXZXTDPSA-N
MW244.36 g/mol
LogP3.42
Rot. Bonds1

About 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole

2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole (PubChem CID 58939442) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
PubChem CID58939442
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
SMILESCC1(C)/C(=C/C2=NCCS2)Nc2ccccc21
InChIInChI=1S/C14H16N2S/c1-14(2)10-5-3-4-6-11(10)16-12(14)9-13-15-7-8-17-13/h3-6,9,16H,7-8H2,1-2H3/b12-9-
InChIKeyFQMPIGMLTICSSB-XFXZXTDPSA-N
XLogP3.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
CID 2345362
2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
CID 3673549
(1E,3E)-1,3-bis(3,3-dimethyl-1H-indol-2-ylidene)propan-2-one
CID 89469297
(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole
CID 142032346
(2E)-2-[(2E)-2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-6-[2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-N-methylcyclohexan-1-imine
CID 174001765
4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine
CID 122400307
2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole
CID 6529972
2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole
CID 118988971
2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole
CID 101116695
(5Z)-2-[(E)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-5-[(3,3-dimethylindol-2-yl)methylidene]-3,4-dioxocyclopenten-1-olate
CID 137167238
6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine
CID 12998654
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline
CID 139985871

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole (CID 58939442) is 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole is CC1(C)/C(=C/C2=NCCS2)Nc2ccccc21.
What is the InChIKey of 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is FQMPIGMLTICSSB-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16N2S/c1-14(2)10-5-3-4-6-11(10)16-12(14)9-13-15-7-8-17-13/h3-6,9,16H,7-8H2,1-2H3/b12-9-.
What are the key properties of 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 58939442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).