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

C13H14Cl2N2S — CID 61330680

IUPAC(2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H14Cl2N2S/c1-7(2)10-6-18-13(17-10)12(16)8-4-3-5-9(14)11(8)15/h3-7,12H,16H2,1-2H3
InChIKeyLQPATXFQSSBYRJ-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.62
Rot. Bonds3

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

(2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 61330680) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID61330680
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name(2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H14Cl2N2S/c1-7(2)10-6-18-13(17-10)12(16)8-4-3-5-9(14)11(8)15/h3-7,12H,16H2,1-2H3
InChIKeyLQPATXFQSSBYRJ-UHFFFAOYSA-N
XLogP4.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 54980335
(2,3-dichlorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559065
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105301689
(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61347398
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
CID 61330087
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
CID 115851470
(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 105402306
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
(2,3-dichlorophenyl)methanediamine
CID 139660481
2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415638

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 61330680) is (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CC(C)c1csc(C(N)c2cccc(Cl)c2Cl)n1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is LQPATXFQSSBYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-7(2)10-6-18-13(17-10)12(16)8-4-3-5-9(14)11(8)15/h3-7,12H,16H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 301.24 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61330680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).