5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine

C9H17N3OS — CID 80607854

IUPAC5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COC(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-4-5-10-9-12-11-8(14-9)6-13-7(2)3/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeySJCNAGZLKGTLJX-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.29
Rot. Bonds6

About 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607854) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80607854
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COC(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-4-5-10-9-12-11-8(14-9)6-13-7(2)3/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeySJCNAGZLKGTLJX-UHFFFAOYSA-N
XLogP2.29
TPSA47.04 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(octan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608767
N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 102985140
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614443
5-[[bis(3-methylbutyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 107871076
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80610433
N-propyl-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80613826
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614537
5-[(2-bromophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607857
5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575
5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607952

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 80607854) is 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(COC(C)C)s1.
What is the InChIKey of 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SJCNAGZLKGTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-5-10-9-12-11-8(14-9)6-13-7(2)3/h7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 215.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).