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

C11H11ClN2S — CID 28818841

IUPAC5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Cc2cnc(N)s2)c1Cl
InChIInChI=1S/C11H11ClN2S/c1-7-3-2-4-8(10(7)12)5-9-6-14-11(13)15-9/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyBOZLAARKSJWJEZ-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.28
Rot. Bonds2

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

5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 28818841) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID28818841
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Cc2cnc(N)s2)c1Cl
InChIInChI=1S/C11H11ClN2S/c1-7-3-2-4-8(10(7)12)5-9-6-14-11(13)15-9/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyBOZLAARKSJWJEZ-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 28818841) is 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1cccc(Cc2cnc(N)s2)c1Cl.
What is the InChIKey of 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BOZLAARKSJWJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-3-2-4-8(10(7)12)5-9-6-14-11(13)15-9/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 238.74 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28818841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).