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

C13H12N4S — CID 63587699

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine
SMILESCc1csc(CNc2cnnc3ccccc23)n1
InChIInChI=1S/C13H12N4S/c1-9-8-18-13(16-9)7-14-12-6-15-17-11-5-3-2-4-10(11)12/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyZGCARQJIWXOSTE-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.01
Rot. Bonds3

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine (PubChem CID 63587699) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine
PubChem CID63587699
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine
SMILESCc1csc(CNc2cnnc3ccccc23)n1
InChIInChI=1S/C13H12N4S/c1-9-8-18-13(16-9)7-14-12-6-15-17-11-5-3-2-4-10(11)12/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyZGCARQJIWXOSTE-UHFFFAOYSA-N
XLogP3.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine (CID 63587699) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine is Cc1csc(CNc2cnnc3ccccc23)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine?
The InChIKey is ZGCARQJIWXOSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-8-18-13(16-9)7-14-12-6-15-17-11-5-3-2-4-10(11)12/h2-6,8H,7H2,1H3,(H,14,17).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]cinnolin-4-amine is sourced from PubChem (CID 63587699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).