8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

C19H17ClN4S — CID 10523090

IUPAC8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
SMILESClc1ccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1
InChIInChI=1S/C19H17ClN4S/c20-14-3-5-15(6-4-14)22-9-11-23(12-10-22)18-17-2-1-8-24(17)19-16(21-18)7-13-25-19/h1-8,13H,9-12H2
InChIKeyYUTYMOJIEPDZRD-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.53
Rot. Bonds2

About 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (PubChem CID 10523090) has the molecular formula C19H17ClN4S and a molecular weight of 368.89 g/mol. Its IUPAC name is 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.

Molecular Properties

Compound Name8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
PubChem CID10523090
Molecular FormulaC19H17ClN4S
Molecular Weight368.89 g/mol
Exact Mass368.09
IUPAC Name8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
SMILESClc1ccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1
InChIInChI=1S/C19H17ClN4S/c20-14-3-5-15(6-4-14)22-9-11-23(12-10-22)18-17-2-1-8-24(17)19-16(21-18)7-13-25-19/h1-8,13H,9-12H2
InChIKeyYUTYMOJIEPDZRD-UHFFFAOYSA-N
XLogP4.53
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The IUPAC name of 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (CID 10523090) is 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.
What is the SMILES notation for 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The canonical SMILES for 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is Clc1ccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1.
What is the InChIKey of 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The InChIKey is YUTYMOJIEPDZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4S/c20-14-3-5-15(6-4-14)22-9-11-23(12-10-22)18-17-2-1-8-24(17)19-16(21-18)7-13-25-19/h1-8,13H,9-12H2.
What are the key properties of 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene has a molecular weight of 368.89 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is sourced from PubChem (CID 10523090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).