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

C17H19N3OS — CID 71551926

IUPACN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccccc2c2sc(CCC)nc12
InChIInChI=1S/C17H19N3OS/c1-3-7-13(21)19-17-15-16(22-14(20-15)8-4-2)11-9-5-6-10-12(11)18-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,21)
InChIKeyNCMHCQNNPCJRNF-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.54
Rot. Bonds5

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

N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide (PubChem CID 71551926) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
PubChem CID71551926
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccccc2c2sc(CCC)nc12
InChIInChI=1S/C17H19N3OS/c1-3-7-13(21)19-17-15-16(22-14(20-15)8-4-2)11-9-5-6-10-12(11)18-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,21)
InChIKeyNCMHCQNNPCJRNF-UHFFFAOYSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3M-002
CID 10198719
2-(3-Methyl-quinolin-2-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1153237
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 1442430
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 1442808
Acetamide,N-(4-methyl-thiazol-2-YL)-2-[(7,8,9,10-tetrahydro-6-phenanthridinyl)thio]-
CID 3224595
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 1435022
2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 1442634
2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylthio)-N-(6-methylpyridin-2-yl)acetamide
CID 16193599
1-[4-(1,3-Benzothiazol-2-yl)quinolin-2-yl]piperidine-4-carboxamide
CID 16378774
2-N-[3-(diethylamino)propyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
CID 44574762
2-Methylthiazolo[4,5-c]quinolin-4-amine
CID 9815783
2-(2-Methylpropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 9816562

Frequently Asked Questions

What is the IUPAC name of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
The IUPAC name of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide (CID 71551926) is N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide.
What is the SMILES notation for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
The canonical SMILES for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide is CCCC(=O)Nc1nc2ccccc2c2sc(CCC)nc12.
What is the InChIKey of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
The InChIKey is NCMHCQNNPCJRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-7-13(21)19-17-15-16(22-14(20-15)8-4-2)11-9-5-6-10-12(11)18-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,21).
What are the key properties of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide?
N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide has a molecular weight of 313.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide is sourced from PubChem (CID 71551926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).