5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole

C17H29NS — CID 59692148

IUPAC5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(C2(C(C)(C)C)CCCCC2)s1
InChIInChI=1S/C17H29NS/c1-13(2)11-15-18-12-14(19-15)17(16(3,4)5)9-7-6-8-10-17/h12-13H,6-11H2,1-5H3
InChIKeyAASSYDFTSGBBEI-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.59
Rot. Bonds3

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

5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 59692148) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole
PubChem CID59692148
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(C2(C(C)(C)C)CCCCC2)s1
InChIInChI=1S/C17H29NS/c1-13(2)11-15-18-12-14(19-15)17(16(3,4)5)9-7-6-8-10-17/h12-13H,6-11H2,1-5H3
InChIKeyAASSYDFTSGBBEI-UHFFFAOYSA-N
XLogP5.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole (CID 59692148) is 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1ncc(C2(C(C)(C)C)CCCCC2)s1.
What is the InChIKey of 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is AASSYDFTSGBBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-13(2)11-15-18-12-14(19-15)17(16(3,4)5)9-7-6-8-10-17/h12-13H,6-11H2,1-5H3.
What are the key properties of 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole?
5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 279.49 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylcyclohexyl)-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 59692148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).