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

C18H21N3OS — CID 71551097

IUPACN-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
SMILESCCCCc1nc2c(NC(=O)CCC)nc3ccccc3c2s1
InChIInChI=1S/C18H21N3OS/c1-3-5-11-15-21-16-17(23-15)12-9-6-7-10-13(12)19-18(16)20-14(22)8-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,20,22)
InChIKeyBCOHTAAOUORPQF-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.93
Rot. Bonds6

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

N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide (PubChem CID 71551097) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
PubChem CID71551097
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
SMILESCCCCc1nc2c(NC(=O)CCC)nc3ccccc3c2s1
InChIInChI=1S/C18H21N3OS/c1-3-5-11-15-21-16-17(23-15)12-9-6-7-10-13(12)19-18(16)20-14(22)8-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,20,22)
InChIKeyBCOHTAAOUORPQF-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
The IUPAC name of N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide (CID 71551097) is N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide.
What is the SMILES notation for N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
The canonical SMILES for N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide is CCCCc1nc2c(NC(=O)CCC)nc3ccccc3c2s1.
What is the InChIKey of N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
The InChIKey is BCOHTAAOUORPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-5-11-15-21-16-17(23-15)12-9-6-7-10-13(12)19-18(16)20-14(22)8-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,20,22).
What are the key properties of N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide has a molecular weight of 327.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide is sourced from PubChem (CID 71551097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).