4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine

C9H6N4OS2 — CID 28907981

IUPAC4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N4OS2/c10-8-7(12-14-13-8)9-11-5(4-16-9)6-2-1-3-15-6/h1-4H,(H2,10,13)
InChIKeyFNCIWPJMDJTDPX-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.50
Rot. Bonds2

About 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 28907981) has the molecular formula C9H6N4OS2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID28907981
Molecular FormulaC9H6N4OS2
Molecular Weight250.31 g/mol
Exact Mass250.00
IUPAC Name4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N4OS2/c10-8-7(12-14-13-8)9-11-5(4-16-9)6-2-1-3-15-6/h1-4H,(H2,10,13)
InChIKeyFNCIWPJMDJTDPX-UHFFFAOYSA-N
XLogP2.50
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
CID 60650149
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968907
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
3-thiophen-2-ylisoquinolin-1-amine
CID 24955965
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907890
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
N,N-dimethyl-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
CID 142178647

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 28907981) is 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(-c2cccs2)cs1.
What is the InChIKey of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is FNCIWPJMDJTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4OS2/c10-8-7(12-14-13-8)9-11-5(4-16-9)6-2-1-3-15-6/h1-4H,(H2,10,13).
What are the key properties of 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 250.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 28907981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).