dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride

C18H23ClN2S — CID 6434478

IUPACdimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride
SMILESCc1nc2c(s1)CCc1ccccc1/C2=C\CC[NH+](C)C.[Cl-]
InChIInChI=1S/C18H22N2S.ClH/c1-13-19-18-16(9-6-12-20(2)3)15-8-5-4-7-14(15)10-11-17(18)21-13;/h4-5,7-9H,6,10-12H2,1-3H3;1H/b16-9+;
InChIKeyILEZLMWLUQOSGP-QOVZSLTQSA-N
MW334.92 g/mol
LogP-0.48
Rot. Bonds3

About dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride

dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride (PubChem CID 6434478) has the molecular formula C18H23ClN2S and a molecular weight of 334.92 g/mol. Its IUPAC name is dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride
PubChem CID6434478
Molecular FormulaC18H23ClN2S
Molecular Weight334.92 g/mol
Exact Mass334.13
IUPAC Namedimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride
SMILESCc1nc2c(s1)CCc1ccccc1/C2=C\CC[NH+](C)C.[Cl-]
InChIInChI=1S/C18H22N2S.ClH/c1-13-19-18-16(9-6-12-20(2)3)15-8-5-4-7-14(15)10-11-17(18)21-13;/h4-5,7-9H,6,10-12H2,1-3H3;1H/b16-9+;
InChIKeyILEZLMWLUQOSGP-QOVZSLTQSA-N
XLogP-0.48
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride with MolForge

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Related Compounds

4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (Z)-
CID 6434476
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-, fumarate (1:1)
CID 6434479
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-2-methyl-4-(3-(methylamino)propylidene)-
CID 6435608
5-Thiazoleethanamine, 4-methyl-N-(1-methyl-2-phenylethyl)-, monohydrochloride
CID 11971059
2-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 54595017
Methyl[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amine
CID 61287612
1-{4-[4-Methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]phenyl}methanamine dihydrochloride
CID 155943443
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 50949095
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 97002724
4-Ethyl-2-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 18187442
2-[(2,4-Difluorophenyl)methyl]-4-ethyl-5-piperidin-4-yl-1,3-thiazole
CID 18187453
2-[(2-Fluorophenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 18187474

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride?
The IUPAC name of dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride (CID 6434478) is dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride.
What is the SMILES notation for dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride?
The canonical SMILES for dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride is Cc1nc2c(s1)CCc1ccccc1/C2=C\CC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride?
The InChIKey is ILEZLMWLUQOSGP-QOVZSLTQSA-N. The full InChI is InChI=1S/C18H22N2S.ClH/c1-13-19-18-16(9-6-12-20(2)3)15-8-5-4-7-14(15)10-11-17(18)21-13;/h4-5,7-9H,6,10-12H2,1-3H3;1H/b16-9+;.
What are the key properties of dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride?
dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride has a molecular weight of 334.92 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3E)-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride is sourced from PubChem (CID 6434478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).