(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone

C11H18N4OS — CID 80615804

IUPAC(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1nnc(NC)s1
InChIInChI=1S/C11H18N4OS/c1-3-8-6-4-5-7-15(8)10(16)9-13-14-11(12-2)17-9/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyVDRZYZPFUPHWBW-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.98
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone

(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 80615804) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID80615804
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1nnc(NC)s1
InChIInChI=1S/C11H18N4OS/c1-3-8-6-4-5-7-15(8)10(16)9-13-14-11(12-2)17-9/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyVDRZYZPFUPHWBW-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 80625985
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 80616565
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 80617166
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
CID 116673045
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 80623651
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 80614899
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 80615804) is (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone is CCC1CCCCN1C(=O)c1nnc(NC)s1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is VDRZYZPFUPHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-8-6-4-5-7-15(8)10(16)9-13-14-11(12-2)17-9/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 254.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 80615804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).