5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

C7H8N4OS2 — CID 82425188

IUPAC5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCN(C)c1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C7H8N4OS2/c1-11(2)6-8-3-4(14-6)5-9-10-7(13)12-5/h3H,1-2H3,(H,10,13)
InChIKeyRWHNFRFEQWVPSN-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.92
Rot. Bonds2

About 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82425188) has the molecular formula C7H8N4OS2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82425188
Molecular FormulaC7H8N4OS2
Molecular Weight228.30 g/mol
Exact Mass228.01
IUPAC Name5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCN(C)c1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C7H8N4OS2/c1-11(2)6-8-3-4(14-6)5-9-10-7(13)12-5/h3H,1-2H3,(H,10,13)
InChIKeyRWHNFRFEQWVPSN-UHFFFAOYSA-N
XLogP1.92
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82514655
5-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514693
5-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82424846
5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82424186
5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82424818
5-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82425034
N,N-dimethyl-5-phenyl-1,3-thiazol-2-amine
CID 12532268
5-(1-benzothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 61406424
5-(2,4-dimethylpyrimidin-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 13223441
5-(5-methyl-1,2-oxazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
CID 43148570
5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 81261206
N,N-dimethyl-5-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-1,3-thiazol-2-amine
CID 56867495

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82425188) is 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CN(C)c1ncc(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is RWHNFRFEQWVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS2/c1-11(2)6-8-3-4(14-6)5-9-10-7(13)12-5/h3H,1-2H3,(H,10,13).
What are the key properties of 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 228.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82425188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).