(Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine

C19H18N2S3 — CID 131969445

IUPAC(Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine
SMILESCS/C=C(\N)c1c(-c2ccccc2)cc(-c2cccs2)nc1SC
InChIInChI=1S/C19H18N2S3/c1-22-12-15(20)18-14(13-7-4-3-5-8-13)11-16(21-19(18)23-2)17-9-6-10-24-17/h3-12H,20H2,1-2H3/b15-12-
InChIKeyMSXZALIKVVZIHU-QINSGFPZSA-N
MW370.57 g/mol
LogP5.82
Rot. Bonds5

About (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine

(Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine (PubChem CID 131969445) has the molecular formula C19H18N2S3 and a molecular weight of 370.57 g/mol. Its IUPAC name is (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine
PubChem CID131969445
Molecular FormulaC19H18N2S3
Molecular Weight370.57 g/mol
Exact Mass370.06
IUPAC Name(Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine
SMILESCS/C=C(\N)c1c(-c2ccccc2)cc(-c2cccs2)nc1SC
InChIInChI=1S/C19H18N2S3/c1-22-12-15(20)18-14(13-7-4-3-5-8-13)11-16(21-19(18)23-2)17-9-6-10-24-17/h3-12H,20H2,1-2H3/b15-12-
InChIKeyMSXZALIKVVZIHU-QINSGFPZSA-N
XLogP5.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide
CID 629079
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
CID 14202028
4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
13-phenyl-11-thiophen-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,6-diamine;hydrobromide
CID 52998080
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol
CID 15099529
3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde
CID 146272232
1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39895811

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine?
The IUPAC name of (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine (CID 131969445) is (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine.
What is the SMILES notation for (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine?
The canonical SMILES for (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine is CS/C=C(\N)c1c(-c2ccccc2)cc(-c2cccs2)nc1SC.
What is the InChIKey of (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine?
The InChIKey is MSXZALIKVVZIHU-QINSGFPZSA-N. The full InChI is InChI=1S/C19H18N2S3/c1-22-12-15(20)18-14(13-7-4-3-5-8-13)11-16(21-19(18)23-2)17-9-6-10-24-17/h3-12H,20H2,1-2H3/b15-12-.
What are the key properties of (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine?
(Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine has a molecular weight of 370.57 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine is sourced from PubChem (CID 131969445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).