5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

C16H24N4OS2 — CID 127616527

IUPAC5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCC(c2cccs2)N2CCOCC2)s1
InChIInChI=1S/C16H24N4OS2/c1-16(2,3)14-18-19-15(23-14)17-11-12(13-5-4-10-22-13)20-6-8-21-9-7-20/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyIRCFTQJQYVOLAB-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.38
Rot. Bonds5

About 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 127616527) has the molecular formula C16H24N4OS2 and a molecular weight of 352.53 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID127616527
Molecular FormulaC16H24N4OS2
Molecular Weight352.53 g/mol
Exact Mass352.14
IUPAC Name5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCC(c2cccs2)N2CCOCC2)s1
InChIInChI=1S/C16H24N4OS2/c1-16(2,3)14-18-19-15(23-14)17-11-12(13-5-4-10-22-13)20-6-8-21-9-7-20/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyIRCFTQJQYVOLAB-UHFFFAOYSA-N
XLogP3.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133382500
6-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94003063
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25334392
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
4,6-dimethyl-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]pyridine-3-carboxamide
CID 17445790
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51535949
1-tert-butyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110966180
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083929
4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 133382668
(2R)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 95764395
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentanamine
CID 167947795

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 127616527) is 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is CC(C)(C)c1nnc(NCC(c2cccs2)N2CCOCC2)s1.
What is the InChIKey of 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IRCFTQJQYVOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS2/c1-16(2,3)14-18-19-15(23-14)17-11-12(13-5-4-10-22-13)20-6-8-21-9-7-20/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19).
What are the key properties of 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 352.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127616527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).