N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine

C14H14N4S — CID 63585851

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine
SMILESCc1csc(CCNc2cnnc3ccccc23)n1
InChIInChI=1S/C14H14N4S/c1-10-9-19-14(17-10)6-7-15-13-8-16-18-12-5-3-2-4-11(12)13/h2-5,8-9H,6-7H2,1H3,(H,15,18)
InChIKeyWAOWWNYEOXFXDX-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine (PubChem CID 63585851) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine
PubChem CID63585851
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine
SMILESCc1csc(CCNc2cnnc3ccccc23)n1
InChIInChI=1S/C14H14N4S/c1-10-9-19-14(17-10)6-7-15-13-8-16-18-12-5-3-2-4-11(12)13/h2-5,8-9H,6-7H2,1H3,(H,15,18)
InChIKeyWAOWWNYEOXFXDX-UHFFFAOYSA-N
XLogP3.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine (CID 63585851) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine is Cc1csc(CCNc2cnnc3ccccc23)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine?
The InChIKey is WAOWWNYEOXFXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-9-19-14(17-10)6-7-15-13-8-16-18-12-5-3-2-4-11(12)13/h2-5,8-9H,6-7H2,1H3,(H,15,18).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 63585851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).