2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole

C15H18N2S — CID 2345362

IUPAC2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
SMILESCN1/C(=C/C2=NCCS2)C(C)(C)c2ccccc21
InChIInChI=1S/C15H18N2S/c1-15(2)11-6-4-5-7-12(11)17(3)13(15)10-14-16-8-9-18-14/h4-7,10H,8-9H2,1-3H3/b13-10+
InChIKeySYGDMTPFAJKJBA-JLHYYAGUSA-N
MW258.39 g/mol
LogP3.44
Rot. Bonds1

About 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole

2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole (PubChem CID 2345362) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
PubChem CID2345362
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
SMILESCN1/C(=C/C2=NCCS2)C(C)(C)c2ccccc21
InChIInChI=1S/C15H18N2S/c1-15(2)11-6-4-5-7-12(11)17(3)13(15)10-14-16-8-9-18-14/h4-7,10H,8-9H2,1-3H3/b13-10+
InChIKeySYGDMTPFAJKJBA-JLHYYAGUSA-N
XLogP3.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
CID 3673549
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
9,9,10-trimethylacridine
CID 610451
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
2,3,5-trifluoro-6-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclohexa-2,5-diene-1,4-dione
CID 59962825
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
(2E,5Z)-2-(dimethylaminomethylidene)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentan-1-one
CID 44669416
2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
CID 15508580
(2Z)-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3,4-dihydronaphthalen-1-one
CID 96883024
1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole perchlorate
CID 73437227
N-ethyl-N-[ethyl-[(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]ethanamine
CID 5227656

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole (CID 2345362) is 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole is CN1/C(=C/C2=NCCS2)C(C)(C)c2ccccc21.
What is the InChIKey of 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is SYGDMTPFAJKJBA-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H18N2S/c1-15(2)11-6-4-5-7-12(11)17(3)13(15)10-14-16-8-9-18-14/h4-7,10H,8-9H2,1-3H3/b13-10+.
What are the key properties of 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole?
2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 258.39 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 2345362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).