1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine

C9H17N3OS2 — CID 62578680

IUPAC1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
SMILESCOCC(C)NCCSc1nnc(C)s1
InChIInChI=1S/C9H17N3OS2/c1-7(6-13-3)10-4-5-14-9-12-11-8(2)15-9/h7,10H,4-6H2,1-3H3
InChIKeyKRSPCUZFKHVGTO-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.56
Rot. Bonds7

About 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine

1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine (PubChem CID 62578680) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
PubChem CID62578680
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
SMILESCOCC(C)NCCSc1nnc(C)s1
InChIInChI=1S/C9H17N3OS2/c1-7(6-13-3)10-4-5-14-9-12-11-8(2)15-9/h7,10H,4-6H2,1-3H3
InChIKeyKRSPCUZFKHVGTO-UHFFFAOYSA-N
XLogP1.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18076362
2-butoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55092695
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 60876943
N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 62576397
2-ethoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 62577214
4-ethoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 62577396
3-ethoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 62577408
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yloxypropan-1-amine
CID 62577416
2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 62577422
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62577597
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490
3-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 62578494

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine (CID 62578680) is 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine is COCC(C)NCCSc1nnc(C)s1.
What is the InChIKey of 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The InChIKey is KRSPCUZFKHVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-7(6-13-3)10-4-5-14-9-12-11-8(2)15-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine is sourced from PubChem (CID 62578680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).