5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H17N5OS2 — CID 63738689

IUPAC5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(Sc2nnc(N(C)C)s2)ccc1N
InChIInChI=1S/C12H17N5OS2/c1-4-7-18-10-8(13)5-6-9(14-10)19-12-16-15-11(20-12)17(2)3/h5-6H,4,7,13H2,1-3H3
InChIKeyGZURMKLUZWAKIO-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.52
Rot. Bonds6

About 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738689) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738689
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(Sc2nnc(N(C)C)s2)ccc1N
InChIInChI=1S/C12H17N5OS2/c1-4-7-18-10-8(13)5-6-9(14-10)19-12-16-15-11(20-12)17(2)3/h5-6H,4,7,13H2,1-3H3
InChIKeyGZURMKLUZWAKIO-UHFFFAOYSA-N
XLogP2.52
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738689) is 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCOc1nc(Sc2nnc(N(C)C)s2)ccc1N.
What is the InChIKey of 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GZURMKLUZWAKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-4-7-18-10-8(13)5-6-9(14-10)19-12-16-15-11(20-12)17(2)3/h5-6H,4,7,13H2,1-3H3.
What are the key properties of 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 311.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).