2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

C14H18N4O4S — CID 131988194

IUPAC2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESCC(C)OC(=O)N1CCC(c2nn3cc(C(=O)O)nc3s2)CC1
InChIInChI=1S/C14H18N4O4S/c1-8(2)22-14(21)17-5-3-9(4-6-17)11-16-18-7-10(12(19)20)15-13(18)23-11/h7-9H,3-6H2,1-2H3,(H,19,20)
InChIKeyDROIQSVNZBXDGS-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.21
Rot. Bonds3

About 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid (PubChem CID 131988194) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
PubChem CID131988194
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESCC(C)OC(=O)N1CCC(c2nn3cc(C(=O)O)nc3s2)CC1
InChIInChI=1S/C14H18N4O4S/c1-8(2)22-14(21)17-5-3-9(4-6-17)11-16-18-7-10(12(19)20)15-13(18)23-11/h7-9H,3-6H2,1-2H3,(H,19,20)
InChIKeyDROIQSVNZBXDGS-UHFFFAOYSA-N
XLogP2.21
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid with MolForge

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Related Compounds

propan-2-yl 4-[6-[(4-methylphenoxy)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-1-carboxylate
CID 131999234
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
2-ethyl-1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]butan-1-one
CID 110405350
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 56965726
1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
CID 110405340
propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate
CID 71913744
2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine
CID 82473071
propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate
CID 143733231
cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405349
cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405424
2-cyclohexyl-6-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole
CID 163872627

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The IUPAC name of 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid (CID 131988194) is 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid.
What is the SMILES notation for 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The canonical SMILES for 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid is CC(C)OC(=O)N1CCC(c2nn3cc(C(=O)O)nc3s2)CC1.
What is the InChIKey of 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The InChIKey is DROIQSVNZBXDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-8(2)22-14(21)17-5-3-9(4-6-17)11-16-18-7-10(12(19)20)15-13(18)23-11/h7-9H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid is sourced from PubChem (CID 131988194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).