N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine

C14H24N4OS — CID 126823287

IUPACN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CC(N3CCOCC3)C2(C)C)n1
InChIInChI=1S/C14H24N4OS/c1-4-12-16-13(20-17-12)15-10-9-11(14(10,2)3)18-5-7-19-8-6-18/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyGERYWFAAVQJPKK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.01
Rot. Bonds4

About N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126823287) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID126823287
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CC(N3CCOCC3)C2(C)C)n1
InChIInChI=1S/C14H24N4OS/c1-4-12-16-13(20-17-12)15-10-9-11(14(10,2)3)18-5-7-19-8-6-18/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyGERYWFAAVQJPKK-UHFFFAOYSA-N
XLogP2.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-(3-morpholin-4-ylcyclobutyl)-1,2,4-thiadiazol-5-amine
CID 125423819
3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736542
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133399736
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693
N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 130758070
3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736671
2,2-dimethyl-3-morpholin-4-ylcyclobutan-1-ol
CID 114631728
N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438822
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755
4-(3-ethyl-1,2,4-thiadiazol-5-yl)oxan-4-amine
CID 130545646

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 126823287) is N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CC(N3CCOCC3)C2(C)C)n1.
What is the InChIKey of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is GERYWFAAVQJPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-12-16-13(20-17-12)15-10-9-11(14(10,2)3)18-5-7-19-8-6-18/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 296.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126823287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).