(4-methylsulfanyl-1,3-thiazol-2-yl)methanamine

C5H8N2S2 — CID 118185511

IUPAC(4-methylsulfanyl-1,3-thiazol-2-yl)methanamine
SMILESCSc1csc(CN)n1
InChIInChI=1S/C5H8N2S2/c1-8-5-3-9-4(2-6)7-5/h3H,2,6H2,1H3
InChIKeyPMAJOWOPBRENKW-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.32
Rot. Bonds2

About (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine

(4-methylsulfanyl-1,3-thiazol-2-yl)methanamine (PubChem CID 118185511) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylsulfanyl-1,3-thiazol-2-yl)methanamine
PubChem CID118185511
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name(4-methylsulfanyl-1,3-thiazol-2-yl)methanamine
SMILESCSc1csc(CN)n1
InChIInChI=1S/C5H8N2S2/c1-8-5-3-9-4(2-6)7-5/h3H,2,6H2,1H3
InChIKeyPMAJOWOPBRENKW-UHFFFAOYSA-N
XLogP1.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine (CID 118185511) is (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine is CSc1csc(CN)n1.
What is the InChIKey of (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is PMAJOWOPBRENKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-8-5-3-9-4(2-6)7-5/h3H,2,6H2,1H3.
What are the key properties of (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine?
(4-methylsulfanyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 160.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 118185511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).