10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine

C19H18N2S — CID 828292

IUPAC10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)-c1ccccc1CC2
InChIInChI=1S/C19H18N2S/c20-17-14-10-9-11-5-1-2-6-12(11)18(14)21-19-16(17)13-7-3-4-8-15(13)22-19/h1-2,5-6H,3-4,7-10H2,(H2,20,21)
InChIKeyQDXAWXXELADXKG-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.52
Rot. Bonds

About 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine

10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine (PubChem CID 828292) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine.

Molecular Properties

Compound Name10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine
PubChem CID828292
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)-c1ccccc1CC2
InChIInChI=1S/C19H18N2S/c20-17-14-10-9-11-5-1-2-6-12(11)18(14)21-19-16(17)13-7-3-4-8-15(13)22-19/h1-2,5-6H,3-4,7-10H2,(H2,20,21)
InChIKeyQDXAWXXELADXKG-UHFFFAOYSA-N
XLogP4.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine with MolForge

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Related Compounds

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3-Amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile
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CID 744146
8-Methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
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4,6-Diphenyl-2-(phenylsulfonyl)thieno[2,3-b]pyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine?
The IUPAC name of 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine (CID 828292) is 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine.
What is the SMILES notation for 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine?
The canonical SMILES for 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine is Nc1c2c(nc3sc4c(c13)CCCC4)-c1ccccc1CC2.
What is the InChIKey of 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine?
The InChIKey is QDXAWXXELADXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S/c20-17-14-10-9-11-5-1-2-6-12(11)18(14)21-19-16(17)13-7-3-4-8-15(13)22-19/h1-2,5-6H,3-4,7-10H2,(H2,20,21).
What are the key properties of 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine?
10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine has a molecular weight of 306.43 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thia-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),12,14,16,18-heptaen-2-amine is sourced from PubChem (CID 828292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).