3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole

C14H27NS — CID 59616803

IUPAC3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1=C(C(C)(C)C)SCN1C(C)(C)C
InChIInChI=1S/C14H27NS/c1-10(2)11-12(13(3,4)5)16-9-15(11)14(6,7)8/h10H,9H2,1-8H3
InChIKeyVHHPGWZJYHOSAW-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.70
Rot. Bonds1

About 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole

3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole (PubChem CID 59616803) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole
PubChem CID59616803
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1=C(C(C)(C)C)SCN1C(C)(C)C
InChIInChI=1S/C14H27NS/c1-10(2)11-12(13(3,4)5)16-9-15(11)14(6,7)8/h10H,9H2,1-8H3
InChIKeyVHHPGWZJYHOSAW-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole (CID 59616803) is 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole is CC(C)C1=C(C(C)(C)C)SCN1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole?
The InChIKey is VHHPGWZJYHOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-10(2)11-12(13(3,4)5)16-9-15(11)14(6,7)8/h10H,9H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole?
3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole has a molecular weight of 241.44 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 59616803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).