2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole

C7H9NS2 — CID 10057970

IUPAC2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1cnc(SC)s1
InChIInChI=1S/C7H9NS2/c1-5(2)6-4-8-7(9-3)10-6/h4H,1H2,2-3H3
InChIKeyCPDHMWGNYFHLJO-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.90
Rot. Bonds2

About 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole

2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole (PubChem CID 10057970) has the molecular formula C7H9NS2 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole
PubChem CID10057970
Molecular FormulaC7H9NS2
Molecular Weight171.29 g/mol
Exact Mass171.02
IUPAC Name2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1cnc(SC)s1
InChIInChI=1S/C7H9NS2/c1-5(2)6-4-8-7(9-3)10-6/h4H,1H2,2-3H3
InChIKeyCPDHMWGNYFHLJO-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole?
The IUPAC name of 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole (CID 10057970) is 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole is C=C(C)c1cnc(SC)s1.
What is the InChIKey of 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole?
The InChIKey is CPDHMWGNYFHLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS2/c1-5(2)6-4-8-7(9-3)10-6/h4H,1H2,2-3H3.
What are the key properties of 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole?
2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole has a molecular weight of 171.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-prop-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 10057970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).