propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate

C14H24N4O2S — CID 71913744

IUPACpropan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Nc2nnc(C(C)C)s2)CC1
InChIInChI=1S/C14H24N4O2S/c1-9(2)12-16-17-13(21-12)15-11-5-7-18(8-6-11)14(19)20-10(3)4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeySXSDCMNUBMOKLF-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.08
Rot. Bonds4

About propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate

propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate (PubChem CID 71913744) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate
PubChem CID71913744
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Namepropan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Nc2nnc(C(C)C)s2)CC1
InChIInChI=1S/C14H24N4O2S/c1-9(2)12-16-17-13(21-12)15-11-5-7-18(8-6-11)14(19)20-10(3)4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeySXSDCMNUBMOKLF-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 133383292
ethyl 4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
CID 114448112
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47336466
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
CID 142975132
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47399494

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate (CID 71913744) is propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Nc2nnc(C(C)C)s2)CC1.
What is the InChIKey of propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is SXSDCMNUBMOKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9(2)12-16-17-13(21-12)15-11-5-7-18(8-6-11)14(19)20-10(3)4/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate?
propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71913744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).