2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine

C10H10N2S2 — CID 12796802

IUPAC2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(-c2ccccc2)s1
InChIInChI=1S/C10H10N2S2/c1-13-10-12-9(11)8(14-10)7-5-3-2-4-6-7/h2-6H,11H2,1H3
InChIKeyLFBDOEKFXKNVDO-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.11
Rot. Bonds2

About 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine

2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine (PubChem CID 12796802) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine
PubChem CID12796802
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(-c2ccccc2)s1
InChIInChI=1S/C10H10N2S2/c1-13-10-12-9(11)8(14-10)7-5-3-2-4-6-7/h2-6H,11H2,1H3
InChIKeyLFBDOEKFXKNVDO-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine?
The IUPAC name of 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine (CID 12796802) is 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine is CSc1nc(N)c(-c2ccccc2)s1.
What is the InChIKey of 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine?
The InChIKey is LFBDOEKFXKNVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-13-10-12-9(11)8(14-10)7-5-3-2-4-6-7/h2-6H,11H2,1H3.
What are the key properties of 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine?
2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-phenyl-1,3-thiazol-4-amine is sourced from PubChem (CID 12796802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).