4-tert-butyl-2-methylsulfanyl-1,3-thiazole

C8H13NS2 — CID 12787017

IUPAC4-tert-butyl-2-methylsulfanyl-1,3-thiazole
SMILESCSc1nc(C(C)(C)C)cs1
InChIInChI=1S/C8H13NS2/c1-8(2,3)6-5-11-7(9-6)10-4/h5H,1-4H3
InChIKeyOASMLVHSDJWHRX-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.16
Rot. Bonds1

About 4-tert-butyl-2-methylsulfanyl-1,3-thiazole

4-tert-butyl-2-methylsulfanyl-1,3-thiazole (PubChem CID 12787017) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-tert-butyl-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-methylsulfanyl-1,3-thiazole
PubChem CID12787017
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name4-tert-butyl-2-methylsulfanyl-1,3-thiazole
SMILESCSc1nc(C(C)(C)C)cs1
InChIInChI=1S/C8H13NS2/c1-8(2,3)6-5-11-7(9-6)10-4/h5H,1-4H3
InChIKeyOASMLVHSDJWHRX-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-methylsulfanyl-1,3-thiazole (CID 12787017) is 4-tert-butyl-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-methylsulfanyl-1,3-thiazole is CSc1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-2-methylsulfanyl-1,3-thiazole?
The InChIKey is OASMLVHSDJWHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-8(2,3)6-5-11-7(9-6)10-4/h5H,1-4H3.
What are the key properties of 4-tert-butyl-2-methylsulfanyl-1,3-thiazole?
4-tert-butyl-2-methylsulfanyl-1,3-thiazole has a molecular weight of 187.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 12787017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).