N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine

C10H18N4OS — CID 65269181

IUPACN-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(N2CCOCC2)ns1
InChIInChI=1S/C10H18N4OS/c1-10(2,3)12-9-11-8(13-16-9)14-4-6-15-7-5-14/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyKNGPAUNXVBOZRV-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.59
Rot. Bonds2

About N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269181) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269181
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(N2CCOCC2)ns1
InChIInChI=1S/C10H18N4OS/c1-10(2,3)12-9-11-8(13-16-9)14-4-6-15-7-5-14/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyKNGPAUNXVBOZRV-UHFFFAOYSA-N
XLogP1.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Morpholin-4-yl)-1,2,4-thiadiazol-5-amine
CID 21688987
N,N-dibutyl-5-morpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 321850
N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268966
3-morpholin-4-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269219
N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
CID 140163506
N-butan-2-yl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 169660613
ethane;N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 172264051
N-(azetidin-3-ylmethyl)-5-morpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 176009599
3-Morpholin-4-yl-1,2,4-thiadiazol-5-amine;hydrochloride
CID 176276677
3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 65267589
N-(2-methoxyethyl)-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
CID 65267764
N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 65267765

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (CID 65269181) is N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is CC(C)(C)Nc1nc(N2CCOCC2)ns1.
What is the InChIKey of N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is KNGPAUNXVBOZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-10(2,3)12-9-11-8(13-16-9)14-4-6-15-7-5-14/h4-7H2,1-3H3,(H,11,12,13).
What are the key properties of N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 242.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).