5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine

C10H8Cl2N2S — CID 717342

IUPAC5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H8Cl2N2S/c11-7-1-2-9(12)6(3-7)4-8-5-14-10(13)15-8/h1-3,5H,4H2,(H2,13,14)
InChIKeyWXXIGOUTTGOBQI-UHFFFAOYSA-N
MW259.16 g/mol
LogP3.62
Rot. Bonds2

About 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine

5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 717342) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID717342
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H8Cl2N2S/c11-7-1-2-9(12)6(3-7)4-8-5-14-10(13)15-8/h1-3,5H,4H2,(H2,13,14)
InChIKeyWXXIGOUTTGOBQI-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine (CID 717342) is 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WXXIGOUTTGOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c11-7-1-2-9(12)6(3-7)4-8-5-14-10(13)15-8/h1-3,5H,4H2,(H2,13,14).
What are the key properties of 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 259.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 717342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).