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

C11H20N4OS — CID 83105830

IUPACN-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1nc(C(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-8(2)10-13-11(17-14-10)15-4-5-16-7-9(15)6-12-3/h8-9,12H,4-7H2,1-3H3
InChIKeyPMMNDXHPUFWTAT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.09
Rot. Bonds4

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

N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine (PubChem CID 83105830) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
PubChem CID83105830
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1nc(C(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-8(2)10-13-11(17-14-10)15-4-5-16-7-9(15)6-12-3/h8-9,12H,4-7H2,1-3H3
InChIKeyPMMNDXHPUFWTAT-UHFFFAOYSA-N
XLogP1.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine (CID 83105830) is N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine is CNCC1COCCN1c1nc(C(C)C)ns1.
What is the InChIKey of N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The InChIKey is PMMNDXHPUFWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8(2)10-13-11(17-14-10)15-4-5-16-7-9(15)6-12-3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine has a molecular weight of 256.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83105830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).