5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine

C11H11ClN2S — CID 2130291

IUPAC5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2cnc(N)s2)cc1Cl
InChIInChI=1S/C11H11ClN2S/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyAVNGJGIMGFLQTR-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.28
Rot. Bonds2

About 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine

5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 2130291) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID2130291
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2cnc(N)s2)cc1Cl
InChIInChI=1S/C11H11ClN2S/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyAVNGJGIMGFLQTR-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-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 2130291) is 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1ccc(Cc2cnc(N)s2)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is AVNGJGIMGFLQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6H,4H2,1H3,(H2,13,14).
What are the key properties of 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(3-chloro-4-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-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2130291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).