[1,3]thiazolo[4,5-k]phenanthridine

C14H8N2S — CID 130221492

IUPAC[1,3]thiazolo[4,5-k]phenanthridine
SMILESc1ccc2c(c1)ncc1ccc3ncsc3c12
InChIInChI=1S/C14H8N2S/c1-2-4-11-10(3-1)13-9(7-15-11)5-6-12-14(13)17-8-16-12/h1-8H
InChIKeySUSYXJFRJJKQAU-UHFFFAOYSA-N
MW236.30 g/mol
LogP4.00
Rot. Bonds

About [1,3]thiazolo[4,5-k]phenanthridine

[1,3]thiazolo[4,5-k]phenanthridine (PubChem CID 130221492) has the molecular formula C14H8N2S and a molecular weight of 236.30 g/mol. Its IUPAC name is [1,3]thiazolo[4,5-k]phenanthridine.

Molecular Properties

Compound Name[1,3]thiazolo[4,5-k]phenanthridine
PubChem CID130221492
Molecular FormulaC14H8N2S
Molecular Weight236.30 g/mol
Exact Mass236.04
IUPAC Name[1,3]thiazolo[4,5-k]phenanthridine
SMILESc1ccc2c(c1)ncc1ccc3ncsc3c12
InChIInChI=1S/C14H8N2S/c1-2-4-11-10(3-1)13-9(7-15-11)5-6-12-14(13)17-8-16-12/h1-8H
InChIKeySUSYXJFRJJKQAU-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 152541674
10-methylphenanthridine
CID 101052009
phenanthridine
CID 9189
benzo[k]phenanthridine;isoquinoline
CID 67914193
phenanthridine;platinum(2+)
CID 23616726
thieno[3,2-g][1,3]benzothiazole
CID 45077418
10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
1,3-benzothiazol-7-ol
CID 23289256
7,12-di(anthracen-9-yl)benzo[j]phenanthridine
CID 59183577
4-chloro-[1,3]thiazolo[4,5-c]quinoline
CID 141201536
8-ethylbenzo[g][1,3]benzothiazole
CID 19102479
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[4,5-k]phenanthridine?
The IUPAC name of [1,3]thiazolo[4,5-k]phenanthridine (CID 130221492) is [1,3]thiazolo[4,5-k]phenanthridine.
What is the SMILES notation for [1,3]thiazolo[4,5-k]phenanthridine?
The canonical SMILES for [1,3]thiazolo[4,5-k]phenanthridine is c1ccc2c(c1)ncc1ccc3ncsc3c12.
What is the InChIKey of [1,3]thiazolo[4,5-k]phenanthridine?
The InChIKey is SUSYXJFRJJKQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S/c1-2-4-11-10(3-1)13-9(7-15-11)5-6-12-14(13)17-8-16-12/h1-8H.
What are the key properties of [1,3]thiazolo[4,5-k]phenanthridine?
[1,3]thiazolo[4,5-k]phenanthridine has a molecular weight of 236.30 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[4,5-k]phenanthridine is sourced from PubChem (CID 130221492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).