3-tert-butyl-4-propan-2-yl-1,2-thiazole

C10H17NS — CID 59706644

IUPAC3-tert-butyl-4-propan-2-yl-1,2-thiazole
SMILESCC(C)c1csnc1C(C)(C)C
InChIInChI=1S/C10H17NS/c1-7(2)8-6-12-11-9(8)10(3,4)5/h6-7H,1-5H3
InChIKeySBUNOFLMHCKBMZ-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.56
Rot. Bonds1

About 3-tert-butyl-4-propan-2-yl-1,2-thiazole

3-tert-butyl-4-propan-2-yl-1,2-thiazole (PubChem CID 59706644) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-tert-butyl-4-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3-tert-butyl-4-propan-2-yl-1,2-thiazole
PubChem CID59706644
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-tert-butyl-4-propan-2-yl-1,2-thiazole
SMILESCC(C)c1csnc1C(C)(C)C
InChIInChI=1S/C10H17NS/c1-7(2)8-6-12-11-9(8)10(3,4)5/h6-7H,1-5H3
InChIKeySBUNOFLMHCKBMZ-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-propan-2-yl-1,2-thiazole?
The IUPAC name of 3-tert-butyl-4-propan-2-yl-1,2-thiazole (CID 59706644) is 3-tert-butyl-4-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 3-tert-butyl-4-propan-2-yl-1,2-thiazole?
The canonical SMILES for 3-tert-butyl-4-propan-2-yl-1,2-thiazole is CC(C)c1csnc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-propan-2-yl-1,2-thiazole?
The InChIKey is SBUNOFLMHCKBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)8-6-12-11-9(8)10(3,4)5/h6-7H,1-5H3.
What are the key properties of 3-tert-butyl-4-propan-2-yl-1,2-thiazole?
3-tert-butyl-4-propan-2-yl-1,2-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 59706644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).