4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine

C12H12Cl2N2S — CID 62075682

IUPAC4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(-c2cccc(Cl)c2Cl)c(N)s1
InChIInChI=1S/C12H12Cl2N2S/c1-6(2)12-16-10(11(15)17-12)7-4-3-5-8(13)9(7)14/h3-6H,15H2,1-2H3
InChIKeyYJMPBJBEIJREIM-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.82
Rot. Bonds2

About 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine

4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine (PubChem CID 62075682) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine
PubChem CID62075682
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(-c2cccc(Cl)c2Cl)c(N)s1
InChIInChI=1S/C12H12Cl2N2S/c1-6(2)12-16-10(11(15)17-12)7-4-3-5-8(13)9(7)14/h3-6H,15H2,1-2H3
InChIKeyYJMPBJBEIJREIM-UHFFFAOYSA-N
XLogP4.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-Dichlorophenyl)-4-phenyl-1,3-thiazole
CID 71463263
2-Bromo-4-(2,3-dichlorophenyl)-1,3-thiazole
CID 53440971
4-Methyl-2-phenyl-1,3-thiazol-5-amine
CID 62076990
[4-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
CID 3993937
[4-(4-Chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
CID 4593237
2-Chloro-4-(2,3-dichlorophenyl)-1,3-thiazole
CID 103695064
4-(2-Chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
[4-(4-Chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine hydrochloride
CID 45792134
2-(2-chloro-4-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine
CID 134315701
4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
CID 175000898
5-Chloro-4-(3-chloro-4-fluorophenyl)-2-ethyl-1,3-thiazole
CID 176575523
4-(3-Chloro-4-fluorophenyl)-5-fluoro-2-propan-2-yl-1,3-thiazole
CID 176575544

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine (CID 62075682) is 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine is CC(C)c1nc(-c2cccc(Cl)c2Cl)c(N)s1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine?
The InChIKey is YJMPBJBEIJREIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-6(2)12-16-10(11(15)17-12)7-4-3-5-8(13)9(7)14/h3-6H,15H2,1-2H3.
What are the key properties of 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine?
4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine has a molecular weight of 287.22 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 62075682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).