3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C9H17N3OS — CID 112605766

IUPAC3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCC(C)OCc1nnc(CCCN)s1
InChIInChI=1S/C9H17N3OS/c1-7(2)13-6-9-12-11-8(14-9)4-3-5-10/h7H,3-6,10H2,1-2H3
InChIKeyPTENNANXZACGSQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.35
Rot. Bonds6

About 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 112605766) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID112605766
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCC(C)OCc1nnc(CCCN)s1
InChIInChI=1S/C9H17N3OS/c1-7(2)13-6-9-12-11-8(14-9)4-3-5-10/h7H,3-6,10H2,1-2H3
InChIKeyPTENNANXZACGSQ-UHFFFAOYSA-N
XLogP1.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{5-[(Propan-2-yloxy)methyl]-1,3,4-thiadiazol-2-yl}ethan-1-amine
CID 112605768
3-[5-(2,2,2-Trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103213281
2-[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65727265
2-[5-(1-Methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104096159
2-[5-(1-Methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
CID 118367822
2-Ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 63071605
2-Ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 63071661
N-[2-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 65716272
2-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 65717236
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 65717550
2-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 65718999
N-[3-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65725516

Frequently Asked Questions

What is the IUPAC name of 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 112605766) is 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CC(C)OCc1nnc(CCCN)s1.
What is the InChIKey of 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is PTENNANXZACGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(2)13-6-9-12-11-8(14-9)4-3-5-10/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 112605766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).