(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

C12H18N4OS — CID 129414179

IUPAC(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CC23CCNCC3)s1
InChIInChI=1S/C12H18N4OS/c1-2-9-15-16-11(18-9)14-10(17)8-7-12(8)3-5-13-6-4-12/h8,13H,2-7H2,1H3,(H,14,16,17)/t8-/m0/s1
InChIKeyJTGFVOXINKNPGQ-QMMMGPOBSA-N
MW266.37 g/mol
LogP1.43
Rot. Bonds3

About (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 129414179) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID129414179
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CC23CCNCC3)s1
InChIInChI=1S/C12H18N4OS/c1-2-9-15-16-11(18-9)14-10(17)8-7-12(8)3-5-13-6-4-12/h8,13H,2-7H2,1H3,(H,14,16,17)/t8-/m0/s1
InChIKeyJTGFVOXINKNPGQ-QMMMGPOBSA-N
XLogP1.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616725
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 17144240
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943678
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 113335005
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 119675992
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
trans-(1R,3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 27146985

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (CID 129414179) is (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is CCc1nnc(NC(=O)[C@@H]2CC23CCNCC3)s1.
What is the InChIKey of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is JTGFVOXINKNPGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-9-15-16-11(18-9)14-10(17)8-7-12(8)3-5-13-6-4-12/h8,13H,2-7H2,1H3,(H,14,16,17)/t8-/m0/s1.
What are the key properties of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 129414179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).