2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine

C14H25N3OS — CID 81326879

IUPAC2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine
SMILESCC1CCC(c2nnc(CCCNC(C)(C)C)s2)O1
InChIInChI=1S/C14H25N3OS/c1-10-7-8-11(18-10)13-17-16-12(19-13)6-5-9-15-14(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyATZINUGEYXNZJI-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.10
Rot. Bonds5

About 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine

2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine (PubChem CID 81326879) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine
PubChem CID81326879
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine
SMILESCC1CCC(c2nnc(CCCNC(C)(C)C)s2)O1
InChIInChI=1S/C14H25N3OS/c1-10-7-8-11(18-10)13-17-16-12(19-13)6-5-9-15-14(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyATZINUGEYXNZJI-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine (CID 81326879) is 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine is CC1CCC(c2nnc(CCCNC(C)(C)C)s2)O1.
What is the InChIKey of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine?
The InChIKey is ATZINUGEYXNZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10-7-8-11(18-10)13-17-16-12(19-13)6-5-9-15-14(2,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine?
2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine is sourced from PubChem (CID 81326879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).