3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide

C11H9IN2S — CID 155288892

IUPAC3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide
SMILESCc1csc2c3ccccc3nc[n+]12.[I-]
InChIInChI=1S/C11H9N2S.HI/c1-8-6-14-11-9-4-2-3-5-10(9)12-7-13(8)11;/h2-7H,1H3;1H/q+1;/p-1
InChIKeyRRPCETSDKANZIA-UHFFFAOYSA-M
MW328.18 g/mol
LogP-0.65
Rot. Bonds

About 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide

3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide (PubChem CID 155288892) has the molecular formula C11H9IN2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide.

Molecular Properties

Compound Name3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide
PubChem CID155288892
Molecular FormulaC11H9IN2S
Molecular Weight328.18 g/mol
Exact Mass327.95
IUPAC Name3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide
SMILESCc1csc2c3ccccc3nc[n+]12.[I-]
InChIInChI=1S/C11H9N2S.HI/c1-8-6-14-11-9-4-2-3-5-10(9)12-7-13(8)11;/h2-7H,1H3;1H/q+1;/p-1
InChIKeyRRPCETSDKANZIA-UHFFFAOYSA-M
XLogP-0.65
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium-3-ol
CID 2328541
ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
iodomethane;4-methylquinoline
CID 161278358
4-chloroquinoline;ethane
CID 91461667
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
CID 63850720
cyclopenta[d][1]benzazepine
CID 90914140
4-(disulfanyl)quinoline
CID 123289875
4-(2-methyl-1H-indol-3-yl)quinoline
CID 745072
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63940208
4-methoxyquinoline;4-methylquinoline
CID 71009048
1-(2-quinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 64542810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide?
The IUPAC name of 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide (CID 155288892) is 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide.
What is the SMILES notation for 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide?
The canonical SMILES for 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide is Cc1csc2c3ccccc3nc[n+]12.[I-].
What is the InChIKey of 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide?
The InChIKey is RRPCETSDKANZIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9N2S.HI/c1-8-6-14-11-9-4-2-3-5-10(9)12-7-13(8)11;/h2-7H,1H3;1H/q+1;/p-1.
What are the key properties of 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide?
3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide has a molecular weight of 328.18 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide is sourced from PubChem (CID 155288892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).