(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone

C16H23N7OS — CID 138007611

IUPAC(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone
SMILESCCc1nsc(NC2CCCCCN(C(=O)c3nccnc3N)C2)n1
InChIInChI=1S/C16H23N7OS/c1-2-12-21-16(25-22-12)20-11-6-4-3-5-9-23(10-11)15(24)13-14(17)19-8-7-18-13/h7-8,11H,2-6,9-10H2,1H3,(H2,17,19)(H,20,21,22)
InChIKeyIQAVQOCQZZVIGV-UHFFFAOYSA-N
MW361.48 g/mol
LogP1.97
Rot. Bonds4

About (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone

(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone (PubChem CID 138007611) has the molecular formula C16H23N7OS and a molecular weight of 361.48 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone
PubChem CID138007611
Molecular FormulaC16H23N7OS
Molecular Weight361.48 g/mol
Exact Mass361.17
IUPAC Name(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone
SMILESCCc1nsc(NC2CCCCCN(C(=O)c3nccnc3N)C2)n1
InChIInChI=1S/C16H23N7OS/c1-2-12-21-16(25-22-12)20-11-6-4-3-5-9-23(10-11)15(24)13-14(17)19-8-7-18-13/h7-8,11H,2-6,9-10H2,1H3,(H2,17,19)(H,20,21,22)
InChIKeyIQAVQOCQZZVIGV-UHFFFAOYSA-N
XLogP1.97
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate
CID 138007596
cyclopentyl-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 133366768
[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]azocan-1-yl]-(1,2-thiazol-4-yl)methanone
CID 167937711
2-[[1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-methylamino]-N,N-diethylacetamide
CID 167843023
N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273828
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 118791672
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112696077
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone (CID 138007611) is (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone is CCc1nsc(NC2CCCCCN(C(=O)c3nccnc3N)C2)n1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone?
The InChIKey is IQAVQOCQZZVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7OS/c1-2-12-21-16(25-22-12)20-11-6-4-3-5-9-23(10-11)15(24)13-14(17)19-8-7-18-13/h7-8,11H,2-6,9-10H2,1H3,(H2,17,19)(H,20,21,22).
What are the key properties of (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone?
(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone has a molecular weight of 361.48 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone is sourced from PubChem (CID 138007611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).