4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine

C20H18N4S — CID 11842961

IUPAC4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(-c2nnc3c(C)cccc3c2C)cs1
InChIInChI=1S/C20H18N4S/c1-12-7-4-5-10-16(12)21-20-22-17(11-25-20)19-14(3)15-9-6-8-13(2)18(15)23-24-19/h4-11H,1-3H3,(H,21,22)
InChIKeyBGFVYJDAJQEMEU-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.42
Rot. Bonds3

About 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine

4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 11842961) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID11842961
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(-c2nnc3c(C)cccc3c2C)cs1
InChIInChI=1S/C20H18N4S/c1-12-7-4-5-10-16(12)21-20-22-17(11-25-20)19-14(3)15-9-6-8-13(2)18(15)23-24-19/h4-11H,1-3H3,(H,21,22)
InChIKeyBGFVYJDAJQEMEU-UHFFFAOYSA-N
XLogP5.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine (CID 11842961) is 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine is Cc1ccccc1Nc1nc(-c2nnc3c(C)cccc3c2C)cs1.
What is the InChIKey of 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is BGFVYJDAJQEMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-12-7-4-5-10-16(12)21-20-22-17(11-25-20)19-14(3)15-9-6-8-13(2)18(15)23-24-19/h4-11H,1-3H3,(H,21,22).
What are the key properties of 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 346.46 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11842961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).