5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

C12H14N4O2S2 — CID 82438115

IUPAC5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2sc(N3CCOCC3)nc2C2CC2)o1
InChIInChI=1S/C12H14N4O2S2/c19-12-15-14-10(18-12)9-8(7-1-2-7)13-11(20-9)16-3-5-17-6-4-16/h7H,1-6H2,(H,15,19)
InChIKeyCSIXRUOOVYRUNS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.57
Rot. Bonds3

About 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82438115) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID82438115
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2sc(N3CCOCC3)nc2C2CC2)o1
InChIInChI=1S/C12H14N4O2S2/c19-12-15-14-10(18-12)9-8(7-1-2-7)13-11(20-9)16-3-5-17-6-4-16/h7H,1-6H2,(H,15,19)
InChIKeyCSIXRUOOVYRUNS-UHFFFAOYSA-N
XLogP2.57
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427937
5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82435615
5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82441844
2-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82438106
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113
5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82424818
5-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82426632
5-[2-(azepan-1-yl)-1,3-thiazol-4-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514809
2,6-dimorpholin-4-yl-1,3,5-thiadiazin-4-one
CID 15063236
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387
5-methyl-2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 11998448
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 82438115) is 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(-c2sc(N3CCOCC3)nc2C2CC2)o1.
What is the InChIKey of 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is CSIXRUOOVYRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c19-12-15-14-10(18-12)9-8(7-1-2-7)13-11(20-9)16-3-5-17-6-4-16/h7H,1-6H2,(H,15,19).
What are the key properties of 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 310.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82438115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).