N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide

C14H15N3O2S2 — CID 71551044

IUPACN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide
SMILESCCCc1nc2c(NS(C)(=O)=O)nc3ccccc3c2s1
InChIInChI=1S/C14H15N3O2S2/c1-3-6-11-16-12-13(20-11)9-7-4-5-8-10(9)15-14(12)17-21(2,18)19/h4-5,7-8H,3,6H2,1-2H3,(H,15,17)
InChIKeyHJBBOVVGQSRSQX-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.17
Rot. Bonds4

About N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide

N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide (PubChem CID 71551044) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide
PubChem CID71551044
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide
SMILESCCCc1nc2c(NS(C)(=O)=O)nc3ccccc3c2s1
InChIInChI=1S/C14H15N3O2S2/c1-3-6-11-16-12-13(20-11)9-7-4-5-8-10(9)15-14(12)17-21(2,18)19/h4-5,7-8H,3,6H2,1-2H3,(H,15,17)
InChIKeyHJBBOVVGQSRSQX-UHFFFAOYSA-N
XLogP3.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide?
The IUPAC name of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide (CID 71551044) is N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide?
The canonical SMILES for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide is CCCc1nc2c(NS(C)(=O)=O)nc3ccccc3c2s1.
What is the InChIKey of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide?
The InChIKey is HJBBOVVGQSRSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-3-6-11-16-12-13(20-11)9-7-4-5-8-10(9)15-14(12)17-21(2,18)19/h4-5,7-8H,3,6H2,1-2H3,(H,15,17).
What are the key properties of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide?
N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)methanesulfonamide is sourced from PubChem (CID 71551044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).