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

C11H12N2S — CID 112715707

IUPAC5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine
SMILESCc1ccc(Cc2cc(N)ns2)cc1
InChIInChI=1S/C11H12N2S/c1-8-2-4-9(5-3-8)6-10-7-11(12)13-14-10/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyNIMMFXPQYBZZNJ-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.62
Rot. Bonds2

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

5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine (PubChem CID 112715707) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine
PubChem CID112715707
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine
SMILESCc1ccc(Cc2cc(N)ns2)cc1
InChIInChI=1S/C11H12N2S/c1-8-2-4-9(5-3-8)6-10-7-11(12)13-14-10/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyNIMMFXPQYBZZNJ-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine?
The IUPAC name of 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine (CID 112715707) is 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine is Cc1ccc(Cc2cc(N)ns2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine?
The InChIKey is NIMMFXPQYBZZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-2-4-9(5-3-8)6-10-7-11(12)13-14-10/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine?
5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine has a molecular weight of 204.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine is sourced from PubChem (CID 112715707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).