(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol

C14H21N3OS — CID 82219776

IUPAC(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
SMILESCC(C)c1nc2sc(C3CCCCC3)nn2c1CO
InChIInChI=1S/C14H21N3OS/c1-9(2)12-11(8-18)17-14(15-12)19-13(16-17)10-6-4-3-5-7-10/h9-10,18H,3-8H2,1-2H3
InChIKeyJFAZBLSBPCNKIN-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.45
Rot. Bonds3

About (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol

(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol (PubChem CID 82219776) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
PubChem CID82219776
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
SMILESCC(C)c1nc2sc(C3CCCCC3)nn2c1CO
InChIInChI=1S/C14H21N3OS/c1-9(2)12-11(8-18)17-14(15-12)19-13(16-17)10-6-4-3-5-7-10/h9-10,18H,3-8H2,1-2H3
InChIKeyJFAZBLSBPCNKIN-UHFFFAOYSA-N
XLogP3.45
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
The IUPAC name of (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol (CID 82219776) is (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol.
What is the SMILES notation for (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
The canonical SMILES for (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol is CC(C)c1nc2sc(C3CCCCC3)nn2c1CO.
What is the InChIKey of (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
The InChIKey is JFAZBLSBPCNKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9(2)12-11(8-18)17-14(15-12)19-13(16-17)10-6-4-3-5-7-10/h9-10,18H,3-8H2,1-2H3.
What are the key properties of (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol?
(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol has a molecular weight of 279.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol is sourced from PubChem (CID 82219776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).