methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate

C16H27N5O4S — CID 138007596

IUPACmethyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate
SMILESCOCCc1nsc(NC2CCCCCN(C(=O)CNC(=O)OC)C2)n1
InChIInChI=1S/C16H27N5O4S/c1-24-9-7-13-19-15(26-20-13)18-12-6-4-3-5-8-21(11-12)14(22)10-17-16(23)25-2/h12H,3-11H2,1-2H3,(H,17,23)(H,18,19,20)
InChIKeyHPTVSMJWLLZXCY-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.27
Rot. Bonds7

About methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate (PubChem CID 138007596) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate
PubChem CID138007596
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Namemethyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate
SMILESCOCCc1nsc(NC2CCCCCN(C(=O)CNC(=O)OC)C2)n1
InChIInChI=1S/C16H27N5O4S/c1-24-9-7-13-19-15(26-20-13)18-12-6-4-3-5-8-21(11-12)14(22)10-17-16(23)25-2/h12H,3-11H2,1-2H3,(H,17,23)(H,18,19,20)
InChIKeyHPTVSMJWLLZXCY-UHFFFAOYSA-N
XLogP1.27
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

cyclopentyl-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 133366768
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone
CID 138007611
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865
3-(2-methoxyethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2,4-thiadiazol-5-amine
CID 99857818
3-(2-methoxyethyl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2,4-thiadiazol-5-amine
CID 99857817
1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133366605
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylazetidine-3-carboxamide
CID 171691207
3-(methoxymethyl)-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 133383314

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate (CID 138007596) is methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate is COCCc1nsc(NC2CCCCCN(C(=O)CNC(=O)OC)C2)n1.
What is the InChIKey of methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate?
The InChIKey is HPTVSMJWLLZXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-24-9-7-13-19-15(26-20-13)18-12-6-4-3-5-8-21(11-12)14(22)10-17-16(23)25-2/h12H,3-11H2,1-2H3,(H,17,23)(H,18,19,20).
What are the key properties of methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate has a molecular weight of 385.49 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 138007596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).