5-tert-butyl-2,3-dihydro-1,3-thiazole

C7H13NS — CID 134432305

IUPAC5-tert-butyl-2,3-dihydro-1,3-thiazole
SMILESCC(C)(C)C1=CNCS1
InChIInChI=1S/C7H13NS/c1-7(2,3)6-4-8-5-9-6/h4,8H,5H2,1-3H3
InChIKeyQMSCUNLMRXXDEV-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.17
Rot. Bonds

About 5-tert-butyl-2,3-dihydro-1,3-thiazole

5-tert-butyl-2,3-dihydro-1,3-thiazole (PubChem CID 134432305) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1,3-thiazole
PubChem CID134432305
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-tert-butyl-2,3-dihydro-1,3-thiazole
SMILESCC(C)(C)C1=CNCS1
InChIInChI=1S/C7H13NS/c1-7(2,3)6-4-8-5-9-6/h4,8H,5H2,1-3H3
InChIKeyQMSCUNLMRXXDEV-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1,3-thiazole (CID 134432305) is 5-tert-butyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1,3-thiazole is CC(C)(C)C1=CNCS1.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1,3-thiazole?
The InChIKey is QMSCUNLMRXXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2,3)6-4-8-5-9-6/h4,8H,5H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dihydro-1,3-thiazole?
5-tert-butyl-2,3-dihydro-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 134432305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).