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

C14H13N3OS — CID 71551924

IUPACN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
SMILESCCCc1nc2c(NC=O)nc3ccccc3c2s1
InChIInChI=1S/C14H13N3OS/c1-2-5-11-17-12-13(19-11)9-6-3-4-7-10(9)16-14(12)15-8-18/h3-4,6-8H,2,5H2,1H3,(H,15,16,18)
InChIKeyBYQWQEDCJGWEDQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.37
Rot. Bonds4

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

N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide (PubChem CID 71551924) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide.

Molecular Properties

Compound NameN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
PubChem CID71551924
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC NameN-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
SMILESCCCc1nc2c(NC=O)nc3ccccc3c2s1
InChIInChI=1S/C14H13N3OS/c1-2-5-11-17-12-13(19-11)9-6-3-4-7-10(9)16-14(12)15-8-18/h3-4,6-8H,2,5H2,1H3,(H,15,16,18)
InChIKeyBYQWQEDCJGWEDQ-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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)formamide?
The IUPAC name of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide (CID 71551924) is N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide.
What is the SMILES notation for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide?
The canonical SMILES for N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide is CCCc1nc2c(NC=O)nc3ccccc3c2s1.
What is the InChIKey of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide?
The InChIKey is BYQWQEDCJGWEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-5-11-17-12-13(19-11)9-6-3-4-7-10(9)16-14(12)15-8-18/h3-4,6-8H,2,5H2,1H3,(H,15,16,18).
What are the key properties of N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide?
N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide has a molecular weight of 271.34 g/mol, XLogP of 3.37, 4 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)formamide is sourced from PubChem (CID 71551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).