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

C10H18N4OS — CID 83105398

IUPACN-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1nncs1
InChIInChI=1S/C10H18N4OS/c1-8(2)11-5-9-6-15-4-3-14(9)10-13-12-7-16-10/h7-9,11H,3-6H2,1-2H3
InChIKeyMVUZDWOVENZMGT-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.74
Rot. Bonds4

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

N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83105398) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine
PubChem CID83105398
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1nncs1
InChIInChI=1S/C10H18N4OS/c1-8(2)11-5-9-6-15-4-3-14(9)10-13-12-7-16-10/h7-9,11H,3-6H2,1-2H3
InChIKeyMVUZDWOVENZMGT-UHFFFAOYSA-N
XLogP0.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]ethanamine
CID 83105363
N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 114223348
N-[(4-thieno[3,2-c]pyridin-4-ylmorpholin-3-yl)methyl]propan-2-amine
CID 83104921
N-[[4-(6-methyl-2-pyridinyl)morpholin-3-yl]methyl]propan-2-amine
CID 83105217
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
N-[[4-(6-methoxy-2-methylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105220
N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine
CID 83104206
N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine
CID 83105058
N-[[4-(5-methoxy-2-pyridinyl)morpholin-3-yl]methyl]propan-2-amine
CID 106504984
N-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105223
N-[[4-(6-propan-2-yloxypyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83106060
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104201

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine (CID 83105398) is N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1c1nncs1.
What is the InChIKey of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is MVUZDWOVENZMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(2)11-5-9-6-15-4-3-14(9)10-13-12-7-16-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine?
N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 242.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83105398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).