2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole

C17H29NS — CID 70849917

IUPAC2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole
SMILESCC(C)(C)c1ncc(C2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C17H29NS/c1-16(2,3)13-9-7-12(8-10-13)14-11-18-15(19-14)17(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyYNQWAJBVOSHULR-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.76
Rot. Bonds1

About 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole

2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole (PubChem CID 70849917) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole
PubChem CID70849917
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole
SMILESCC(C)(C)c1ncc(C2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C17H29NS/c1-16(2,3)13-9-7-12(8-10-13)14-11-18-15(19-14)17(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyYNQWAJBVOSHULR-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole (CID 70849917) is 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole is CC(C)(C)c1ncc(C2CCC(C(C)(C)C)CC2)s1.
What is the InChIKey of 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole?
The InChIKey is YNQWAJBVOSHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-16(2,3)13-9-7-12(8-10-13)14-11-18-15(19-14)17(4,5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole?
2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole has a molecular weight of 279.49 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-tert-butylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 70849917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).