5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole

C18H31NS — CID 130317375

IUPAC5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(C(C)CC(C)(C)C2CC2C(C)C)s1
InChIInChI=1S/C18H31NS/c1-11(2)14-8-15(14)18(6,7)9-13(5)16-10-19-17(20-16)12(3)4/h10-15H,8-9H2,1-7H3
InChIKeyIIVDVVFCFRFANY-UHFFFAOYSA-N
MW293.52 g/mol
LogP6.08
Rot. Bonds6

About 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole

5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole (PubChem CID 130317375) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole
PubChem CID130317375
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(C(C)CC(C)(C)C2CC2C(C)C)s1
InChIInChI=1S/C18H31NS/c1-11(2)14-8-15(14)18(6,7)9-13(5)16-10-19-17(20-16)12(3)4/h10-15H,8-9H2,1-7H3
InChIKeyIIVDVVFCFRFANY-UHFFFAOYSA-N
XLogP6.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole (CID 130317375) is 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(C(C)CC(C)(C)C2CC2C(C)C)s1.
What is the InChIKey of 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is IIVDVVFCFRFANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-11(2)14-8-15(14)18(6,7)9-13(5)16-10-19-17(20-16)12(3)4/h10-15H,8-9H2,1-7H3.
What are the key properties of 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole?
5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 293.52 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-4-(2-propan-2-ylcyclopropyl)pentan-2-yl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 130317375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).