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

C7H12N4OS — CID 65268966

IUPACN-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(N2CCOCC2)ns1
InChIInChI=1S/C7H12N4OS/c1-8-7-9-6(10-13-7)11-2-4-12-5-3-11/h2-5H2,1H3,(H,8,9,10)
InChIKeyBBPZTCAEBJKWGE-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.42
Rot. Bonds2

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

N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268966) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268966
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(N2CCOCC2)ns1
InChIInChI=1S/C7H12N4OS/c1-8-7-9-6(10-13-7)11-2-4-12-5-3-11/h2-5H2,1H3,(H,8,9,10)
InChIKeyBBPZTCAEBJKWGE-UHFFFAOYSA-N
XLogP0.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.42
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
4-(5-Chloro-1,2,4-thiadiazol-3-yl)morpholine
CID 56832319
N,N-dibutyl-5-morpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 321850
N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 65269181
3-morpholin-4-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269219
4-(3-Bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
1-(3-Methoxy-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68530741
4-(3-Propoxy-1,2,4-thiadiazol-5-yl)morpholine
CID 71100575
4-(3-Chloro-1,2,4-thiadiazol-5-yl)morpholine
CID 130709724
3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 142434753
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (CID 65268966) is N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is CNc1nc(N2CCOCC2)ns1.
What is the InChIKey of N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BBPZTCAEBJKWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-8-7-9-6(10-13-7)11-2-4-12-5-3-11/h2-5H2,1H3,(H,8,9,10).
What are the key properties of N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 200.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).