methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate

C10H14N4O3S — CID 60556816

IUPACmethyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2nncs2)C1
InChIInChI=1S/C10H14N4O3S/c1-17-10(16)14-4-2-3-7(5-14)8(15)12-9-13-11-6-18-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyDFHUGTGITLDSQE-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.95
Rot. Bonds2

About methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate

methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 60556816) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID60556816
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Namemethyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2nncs2)C1
InChIInChI=1S/C10H14N4O3S/c1-17-10(16)14-4-2-3-7(5-14)8(15)12-9-13-11-6-18-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyDFHUGTGITLDSQE-UHFFFAOYSA-N
XLogP0.95
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51118916
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
(3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962716
1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47050306
1-N-(oxolan-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 56807058
(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 95636192
(3R)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 98723373
1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 94194613
1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47049895
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate (CID 60556816) is methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)Nc2nncs2)C1.
What is the InChIKey of methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is DFHUGTGITLDSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-17-10(16)14-4-2-3-7(5-14)8(15)12-9-13-11-6-18-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 60556816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).