4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine

C13H9Cl2N3S — CID 82449443

IUPAC4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C13H9Cl2N3S/c1-6-2-8(11-5-19-13(16)18-11)12-9(15)3-7(14)4-10(12)17-6/h2-5H,1H3,(H2,16,18)
InChIKeyRQNJNHTYGJUVSN-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.56
Rot. Bonds1

About 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine

4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 82449443) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine
PubChem CID82449443
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C13H9Cl2N3S/c1-6-2-8(11-5-19-13(16)18-11)12-9(15)3-7(14)4-10(12)17-6/h2-5H,1H3,(H2,16,18)
InChIKeyRQNJNHTYGJUVSN-UHFFFAOYSA-N
XLogP4.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 91362030
5,7-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449422
4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577818
5,7-dichloro-2-methylquinoline-4-carboxylate
CID 7200781
3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
CID 82576903
4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-amine
CID 959110
4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 82491191
5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62913846
4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine
CID 104546169

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine (CID 82449443) is 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(N)n2)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is RQNJNHTYGJUVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c1-6-2-8(11-5-19-13(16)18-11)12-9(15)3-7(14)4-10(12)17-6/h2-5H,1H3,(H2,16,18).
What are the key properties of 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine?
4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 310.21 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82449443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).