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

C10H12N4O2S2 — CID 82424818

IUPAC5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cnc(CN3CCOCC3)s2)o1
InChIInChI=1S/C10H12N4O2S2/c17-10-13-12-9(16-10)7-5-11-8(18-7)6-14-1-3-15-4-2-14/h5H,1-4,6H2,(H,13,17)
InChIKeyCTIBGRDTCNNIAI-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.69
Rot. Bonds3

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

5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82424818) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82424818
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cnc(CN3CCOCC3)s2)o1
InChIInChI=1S/C10H12N4O2S2/c17-10-13-12-9(16-10)7-5-11-8(18-7)6-14-1-3-15-4-2-14/h5H,1-4,6H2,(H,13,17)
InChIKeyCTIBGRDTCNNIAI-UHFFFAOYSA-N
XLogP1.69
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(morpholin-4-ylmethyl)-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-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82424846
5-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82425034
5-(2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82514655
N-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine
CID 158263053
5-[2-(dimethylamino)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82425188
4-propyl-3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82424692
1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 126777513
(E)-3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82424816
5-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82425140
5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82424186
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424843
5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82424866

Frequently Asked Questions

What is the IUPAC name of 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82424818) is 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(-c2cnc(CN3CCOCC3)s2)o1.
What is the InChIKey of 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is CTIBGRDTCNNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c17-10-13-12-9(16-10)7-5-11-8(18-7)6-14-1-3-15-4-2-14/h5H,1-4,6H2,(H,13,17).
What are the key properties of 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 284.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82424818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).