11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine

C15H13ClN2S — CID 139206208

IUPAC11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine
SMILESCc1nc2ccc3nc4c(c(Cl)c3c2s1)CCCC4
InChIInChI=1S/C15H13ClN2S/c1-8-17-12-7-6-11-13(15(12)19-8)14(16)9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3
InChIKeyNSPNFOJXLNDKNT-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.69
Rot. Bonds

About 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine

11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine (PubChem CID 139206208) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine.

Molecular Properties

Compound Name11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine
PubChem CID139206208
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine
SMILESCc1nc2ccc3nc4c(c(Cl)c3c2s1)CCCC4
InChIInChI=1S/C15H13ClN2S/c1-8-17-12-7-6-11-13(15(12)19-8)14(16)9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3
InChIKeyNSPNFOJXLNDKNT-UHFFFAOYSA-N
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine?
The IUPAC name of 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine (CID 139206208) is 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine.
What is the SMILES notation for 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine?
The canonical SMILES for 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine is Cc1nc2ccc3nc4c(c(Cl)c3c2s1)CCCC4.
What is the InChIKey of 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine?
The InChIKey is NSPNFOJXLNDKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-8-17-12-7-6-11-13(15(12)19-8)14(16)9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3.
What are the key properties of 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine?
11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine has a molecular weight of 288.80 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine is sourced from PubChem (CID 139206208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).