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

C12H14N2S2 — CID 43558943

IUPAC(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCSc1ccc(C(N)c2ncc(C)s2)cc1
InChIInChI=1S/C12H14N2S2/c1-8-7-14-12(16-8)11(13)9-3-5-10(15-2)6-4-9/h3-7,11H,13H2,1-2H3
InChIKeyONPWQDXBTZWMTK-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.22
Rot. Bonds3

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

(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 43558943) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID43558943
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCSc1ccc(C(N)c2ncc(C)s2)cc1
InChIInChI=1S/C12H14N2S2/c1-8-7-14-12(16-8)11(13)9-3-5-10(15-2)6-4-9/h3-7,11H,13H2,1-2H3
InChIKeyONPWQDXBTZWMTK-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 43558943) is (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is CSc1ccc(C(N)c2ncc(C)s2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is ONPWQDXBTZWMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-8-7-14-12(16-8)11(13)9-3-5-10(15-2)6-4-9/h3-7,11H,13H2,1-2H3.
What are the key properties of (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 250.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 43558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).