3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C10H16N4OS — CID 103549183

IUPAC3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESC1COCC(CNc2nc(C3CC3)ns2)N1
InChIInChI=1S/C10H16N4OS/c1-2-7(1)9-13-10(16-14-9)12-5-8-6-15-4-3-11-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyCXZMQCBVRPPHHV-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.82
Rot. Bonds4

About 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103549183) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103549183
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESC1COCC(CNc2nc(C3CC3)ns2)N1
InChIInChI=1S/C10H16N4OS/c1-2-7(1)9-13-10(16-14-9)12-5-8-6-15-4-3-11-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyCXZMQCBVRPPHHV-UHFFFAOYSA-N
XLogP0.82
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-N-[(2,2-dimethylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
CID 103736534
N-(2-methylpropyl)-3-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65329186
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 129004502
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411
6-cyclopentyl-N-(morpholin-3-ylmethyl)pyridazin-3-amine
CID 116972241
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271457
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 104577421
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383166
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
N-(morpholin-3-ylmethyl)quinolin-2-amine
CID 103549165

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 103549183) is 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine is C1COCC(CNc2nc(C3CC3)ns2)N1.
What is the InChIKey of 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CXZMQCBVRPPHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-7(1)9-13-10(16-14-9)12-5-8-6-15-4-3-11-8/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 240.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103549183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).