4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine

C10H15N5OS — CID 115345374

IUPAC4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(CCN(C)C)no1
InChIInChI=1S/C10H15N5OS/c1-6-8(9(11)17-14-6)10-12-7(13-16-10)4-5-15(2)3/h4-5,11H2,1-3H3
InChIKeyVFDWDUMTXRUNCS-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.19
Rot. Bonds4

About 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine

4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 115345374) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID115345374
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(CCN(C)C)no1
InChIInChI=1S/C10H15N5OS/c1-6-8(9(11)17-14-6)10-12-7(13-16-10)4-5-15(2)3/h4-5,11H2,1-3H3
InChIKeyVFDWDUMTXRUNCS-UHFFFAOYSA-N
XLogP1.19
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 115345374) is 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc(CCN(C)C)no1.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is VFDWDUMTXRUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-6-8(9(11)17-14-6)10-12-7(13-16-10)4-5-15(2)3/h4-5,11H2,1-3H3.
What are the key properties of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 253.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 115345374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).