N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide

C12H20N4O2S — CID 134713707

IUPACN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)C2CCOCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-16(2)6-3-10-14-15-12(19-10)13-11(17)9-4-7-18-8-5-9/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyZKSQHAKLYUMTFH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.01
Rot. Bonds5

About N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide

N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide (PubChem CID 134713707) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
PubChem CID134713707
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)C2CCOCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-16(2)6-3-10-14-15-12(19-10)13-11(17)9-4-7-18-8-5-9/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyZKSQHAKLYUMTFH-UHFFFAOYSA-N
XLogP1.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-[2-[5-(2-oxo-3-propylhexyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 134403137
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 46984198
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 155503297
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176294
2-[[5-(oxane-4-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283764
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide (CID 134713707) is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide is CN(C)CCc1nnc(NC(=O)C2CCOCC2)s1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
The InChIKey is ZKSQHAKLYUMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-16(2)6-3-10-14-15-12(19-10)13-11(17)9-4-7-18-8-5-9/h9H,3-8H2,1-2H3,(H,13,15,17).
What are the key properties of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 134713707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).