2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide

C20H18N4OS — CID 59007714

IUPAC2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide
SMILESCCCc1nc2c(N)nc3cc(-c4ccccc4C(N)=O)ccc3c2s1
InChIInChI=1S/C20H18N4OS/c1-2-5-16-24-17-18(26-16)14-9-8-11(10-15(14)23-19(17)21)12-6-3-4-7-13(12)20(22)25/h3-4,6-10H,2,5H2,1H3,(H2,21,23)(H2,22,25)
InChIKeyJACVYIZKCNBOQI-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide

2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide (PubChem CID 59007714) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide
PubChem CID59007714
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide
SMILESCCCc1nc2c(N)nc3cc(-c4ccccc4C(N)=O)ccc3c2s1
InChIInChI=1S/C20H18N4OS/c1-2-5-16-24-17-18(26-16)14-9-8-11(10-15(14)23-19(17)21)12-6-3-4-7-13(12)20(22)25/h3-4,6-10H,2,5H2,1H3,(H2,21,23)(H2,22,25)
InChIKeyJACVYIZKCNBOQI-UHFFFAOYSA-N
XLogP4.15
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide?
The IUPAC name of 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide (CID 59007714) is 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide.
What is the SMILES notation for 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide?
The canonical SMILES for 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide is CCCc1nc2c(N)nc3cc(-c4ccccc4C(N)=O)ccc3c2s1.
What is the InChIKey of 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide?
The InChIKey is JACVYIZKCNBOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-2-5-16-24-17-18(26-16)14-9-8-11(10-15(14)23-19(17)21)12-6-3-4-7-13(12)20(22)25/h3-4,6-10H,2,5H2,1H3,(H2,21,23)(H2,22,25).
What are the key properties of 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide?
2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide has a molecular weight of 362.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide is sourced from PubChem (CID 59007714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).