(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine

C19H17N5S2 — CID 2006467

IUPAC(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine
SMILESCSc1nc(NN)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4
InChIInChI=1S/C19H17N5S2/c1-25-19-22-15-13-11-8-5-9-12(11)14(10-6-3-2-4-7-10)21-18(13)26-16(15)17(23-19)24-20/h2-4,6-7H,5,8-9,20H2,1H3,(H,22,23,24)
InChIKeyZJZHAGLPACYVPL-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.40
Rot. Bonds3

About (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine

(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine (PubChem CID 2006467) has the molecular formula C19H17N5S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine.

Molecular Properties

Compound Name(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine
PubChem CID2006467
Molecular FormulaC19H17N5S2
Molecular Weight379.51 g/mol
Exact Mass379.09
IUPAC Name(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine
SMILESCSc1nc(NN)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4
InChIInChI=1S/C19H17N5S2/c1-25-19-22-15-13-11-8-5-9-12(11)14(10-6-3-2-4-7-10)21-18(13)26-16(15)17(23-19)24-20/h2-4,6-7H,5,8-9,20H2,1H3,(H,22,23,24)
InChIKeyZJZHAGLPACYVPL-UHFFFAOYSA-N
XLogP4.40
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine with MolForge

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Related Compounds

N-benzyl-14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 2017343
2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethanol
CID 2001444
2-[2-hydroxyethyl-(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethanol
CID 2048391
13-methylsulfanyl-8-phenyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
CID 4001488
7-(furan-2-yl)-14-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 2047227
N-(furan-2-ylmethyl)-14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 2010986
12-(4-benzylpiperidin-1-yl)-7-(furan-2-yl)-14-methylsulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
CID 2039578
8-phenyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
CID 136679884
N-cyclohexyl-14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 2009474
3-[(14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-1-ol
CID 2024382
dimethyl-[2-[(14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethyl]azanium
CID 2008284
3-amino-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbonitrile
CID 1472699

Frequently Asked Questions

What is the IUPAC name of (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine?
The IUPAC name of (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine (CID 2006467) is (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine.
What is the SMILES notation for (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine?
The canonical SMILES for (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine is CSc1nc(NN)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4.
What is the InChIKey of (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine?
The InChIKey is ZJZHAGLPACYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S2/c1-25-19-22-15-13-11-8-5-9-12(11)14(10-6-3-2-4-7-10)21-18(13)26-16(15)17(23-19)24-20/h2-4,6-7H,5,8-9,20H2,1H3,(H,22,23,24).
What are the key properties of (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine?
(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine has a molecular weight of 379.51 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)hydrazine is sourced from PubChem (CID 2006467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).