4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol

C18H21F3N6OS — CID 56836651

IUPAC4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol
SMILESCN(c1nn2c(-c3cnc(N)c(C(F)(F)F)c3)cnc2s1)C1CCC(C)(O)CC1
InChIInChI=1S/C18H21F3N6OS/c1-17(28)5-3-11(4-6-17)26(2)16-25-27-13(9-24-15(27)29-16)10-7-12(18(19,20)21)14(22)23-8-10/h7-9,11,28H,3-6H2,1-2H3,(H2,22,23)
InChIKeyQWJHFZFQLBFCPO-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.58
Rot. Bonds3

About 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol

4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol (PubChem CID 56836651) has the molecular formula C18H21F3N6OS and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol
PubChem CID56836651
Molecular FormulaC18H21F3N6OS
Molecular Weight426.47 g/mol
Exact Mass426.14
IUPAC Name4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol
SMILESCN(c1nn2c(-c3cnc(N)c(C(F)(F)F)c3)cnc2s1)C1CCC(C)(O)CC1
InChIInChI=1S/C18H21F3N6OS/c1-17(28)5-3-11(4-6-17)26(2)16-25-27-13(9-24-15(27)29-16)10-7-12(18(19,20)21)14(22)23-8-10/h7-9,11,28H,3-6H2,1-2H3,(H2,22,23)
InChIKeyQWJHFZFQLBFCPO-UHFFFAOYSA-N
XLogP3.58
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol (CID 56836651) is 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol is CN(c1nn2c(-c3cnc(N)c(C(F)(F)F)c3)cnc2s1)C1CCC(C)(O)CC1.
What is the InChIKey of 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol?
The InChIKey is QWJHFZFQLBFCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6OS/c1-17(28)5-3-11(4-6-17)26(2)16-25-27-13(9-24-15(27)29-16)10-7-12(18(19,20)21)14(22)23-8-10/h7-9,11,28H,3-6H2,1-2H3,(H2,22,23).
What are the key properties of 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol?
4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol has a molecular weight of 426.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 56836651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).