4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

C19H24N4OS — CID 58285550

IUPAC4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)c1ccc(-c2cnc3sc(NC4CCC(O)CC4)nn23)cc1
InChIInChI=1S/C19H24N4OS/c1-12(2)13-3-5-14(6-4-13)17-11-20-19-23(17)22-18(25-19)21-15-7-9-16(24)10-8-15/h3-6,11-12,15-16,24H,7-10H2,1-2H3,(H,21,22)
InChIKeyMJCDYUOMZGQKCK-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.30
Rot. Bonds4

About 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 58285550) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID58285550
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)c1ccc(-c2cnc3sc(NC4CCC(O)CC4)nn23)cc1
InChIInChI=1S/C19H24N4OS/c1-12(2)13-3-5-14(6-4-13)17-11-20-19-23(17)22-18(25-19)21-15-7-9-16(24)10-8-15/h3-6,11-12,15-16,24H,7-10H2,1-2H3,(H,21,22)
InChIKeyMJCDYUOMZGQKCK-UHFFFAOYSA-N
XLogP4.30
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (CID 58285550) is 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is CC(C)c1ccc(-c2cnc3sc(NC4CCC(O)CC4)nn23)cc1.
What is the InChIKey of 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is MJCDYUOMZGQKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-12(2)13-3-5-14(6-4-13)17-11-20-19-23(17)22-18(25-19)21-15-7-9-16(24)10-8-15/h3-6,11-12,15-16,24H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 356.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58285550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).