N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C10H9N5OS — CID 103744781

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCCc2ncon2)c2sccc2n1
InChIInChI=1S/C10H9N5OS/c1(8-14-6-16-15-8)3-11-10-9-7(2-4-17-9)12-5-13-10/h2,4-6H,1,3H2,(H,11,12,13)
InChIKeyQSXNUHADQCDKQZ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 103744781) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID103744781
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCCc2ncon2)c2sccc2n1
InChIInChI=1S/C10H9N5OS/c1(8-14-6-16-15-8)3-11-10-9-7(2-4-17-9)12-5-13-10/h2,4-6H,1,3H2,(H,11,12,13)
InChIKeyQSXNUHADQCDKQZ-UHFFFAOYSA-N
XLogP1.73
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 54943655
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
CID 106400993
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
CID 103704438
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412553
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 63330100
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 23631937

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 103744781) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is c1nc(NCCc2ncon2)c2sccc2n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QSXNUHADQCDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1(8-14-6-16-15-8)3-11-10-9-7(2-4-17-9)12-5-13-10/h2,4-6H,1,3H2,(H,11,12,13).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 247.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 103744781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).