[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine

C10H18N4OS — CID 65270401

IUPAC[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
SMILESCC(C)c1nsc(N2CCOC(CN)C2)n1
InChIInChI=1S/C10H18N4OS/c1-7(2)9-12-10(16-13-9)14-3-4-15-8(5-11)6-14/h7-8H,3-6,11H2,1-2H3
InChIKeyXNJGWHXVHOTTGU-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.83
Rot. Bonds3

About [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine

[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine (PubChem CID 65270401) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
PubChem CID65270401
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
SMILESCC(C)c1nsc(N2CCOC(CN)C2)n1
InChIInChI=1S/C10H18N4OS/c1-7(2)9-12-10(16-13-9)14-3-4-15-8(5-11)6-14/h7-8H,3-6,11H2,1-2H3
InChIKeyXNJGWHXVHOTTGU-UHFFFAOYSA-N
XLogP0.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine (CID 65270401) is [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine is CC(C)c1nsc(N2CCOC(CN)C2)n1.
What is the InChIKey of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
The InChIKey is XNJGWHXVHOTTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)9-12-10(16-13-9)14-3-4-15-8(5-11)6-14/h7-8H,3-6,11H2,1-2H3.
What are the key properties of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine has a molecular weight of 242.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 65270401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).