(3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine

C13H14Cl2N2S — CID 61330519

IUPAC(3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1nc(C(N)c2cc(Cl)cc(Cl)c2)sc1C
InChIInChI=1S/C13H14Cl2N2S/c1-3-11-7(2)18-13(17-11)12(16)8-4-9(14)6-10(15)5-8/h4-6,12H,3,16H2,1-2H3
InChIKeyYAEDDWAOSNQMPQ-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.37
Rot. Bonds3

About (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine

(3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 61330519) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID61330519
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name(3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1nc(C(N)c2cc(Cl)cc(Cl)c2)sc1C
InChIInChI=1S/C13H14Cl2N2S/c1-3-11-7(2)18-13(17-11)12(16)8-4-9(14)6-10(15)5-8/h4-6,12H,3,16H2,1-2H3
InChIKeyYAEDDWAOSNQMPQ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine (CID 61330519) is (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine is CCc1nc(C(N)c2cc(Cl)cc(Cl)c2)sc1C.
What is the InChIKey of (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is YAEDDWAOSNQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-3-11-7(2)18-13(17-11)12(16)8-4-9(14)6-10(15)5-8/h4-6,12H,3,16H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
(3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 301.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61330519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).