2-methylsulfanyl-4-propan-2-yl-1,3-thiazole

C7H11NS2 — CID 22949815

IUPAC2-methylsulfanyl-4-propan-2-yl-1,3-thiazole
SMILESCSc1nc(C(C)C)cs1
InChIInChI=1S/C7H11NS2/c1-5(2)6-4-10-7(8-6)9-3/h4-5H,1-3H3
InChIKeyJMRLSPRIMOFMGF-UHFFFAOYSA-N
MW173.31 g/mol
LogP2.99
Rot. Bonds2

About 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole

2-methylsulfanyl-4-propan-2-yl-1,3-thiazole (PubChem CID 22949815) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methylsulfanyl-4-propan-2-yl-1,3-thiazole
PubChem CID22949815
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name2-methylsulfanyl-4-propan-2-yl-1,3-thiazole
SMILESCSc1nc(C(C)C)cs1
InChIInChI=1S/C7H11NS2/c1-5(2)6-4-10-7(8-6)9-3/h4-5H,1-3H3
InChIKeyJMRLSPRIMOFMGF-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole (CID 22949815) is 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole is CSc1nc(C(C)C)cs1.
What is the InChIKey of 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is JMRLSPRIMOFMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2/c1-5(2)6-4-10-7(8-6)9-3/h4-5H,1-3H3.
What are the key properties of 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole?
2-methylsulfanyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 173.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 22949815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).