N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine

C15H16N4S — CID 63588456

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine
SMILESCc1nc(C)c(C(C)Nc2cnnc3ccccc23)s1
InChIInChI=1S/C15H16N4S/c1-9-15(20-11(3)17-9)10(2)18-14-8-16-19-13-7-5-4-6-12(13)14/h4-8,10H,1-3H3,(H,18,19)
InChIKeySMMRXVFGCZKNQY-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.88
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine (PubChem CID 63588456) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine
PubChem CID63588456
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine
SMILESCc1nc(C)c(C(C)Nc2cnnc3ccccc23)s1
InChIInChI=1S/C15H16N4S/c1-9-15(20-11(3)17-9)10(2)18-14-8-16-19-13-7-5-4-6-12(13)14/h4-8,10H,1-3H3,(H,18,19)
InChIKeySMMRXVFGCZKNQY-UHFFFAOYSA-N
XLogP3.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine (CID 63588456) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine is Cc1nc(C)c(C(C)Nc2cnnc3ccccc23)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine?
The InChIKey is SMMRXVFGCZKNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-15(20-11(3)17-9)10(2)18-14-8-16-19-13-7-5-4-6-12(13)14/h4-8,10H,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 63588456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).