4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine

C12H12N2OS2 — CID 113490807

IUPAC4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
SMILESCC(C)c1c(N)noc1-c1cc2sccc2s1
InChIInChI=1S/C12H12N2OS2/c1-6(2)10-11(15-14-12(10)13)9-5-8-7(17-9)3-4-16-8/h3-6H,1-2H3,(H2,13,14)
InChIKeyXOKVCONQRWILJT-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.32
Rot. Bonds2

About 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine

4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine (PubChem CID 113490807) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
PubChem CID113490807
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
SMILESCC(C)c1c(N)noc1-c1cc2sccc2s1
InChIInChI=1S/C12H12N2OS2/c1-6(2)10-11(15-14-12(10)13)9-5-8-7(17-9)3-4-16-8/h3-6H,1-2H3,(H2,13,14)
InChIKeyXOKVCONQRWILJT-UHFFFAOYSA-N
XLogP4.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 80739587
4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 80738631
3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine
CID 80745588
1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 80746127
5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 107967239
1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
CID 80745878
4-propan-2-yl-3-thieno[3,2-b]thiophen-5-yl-1,2,4-triazole
CID 115393881
4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine
CID 136984255
1-(1-cyclopropylethyl)-3-thieno[3,2-b]thiophen-5-ylpyrazole-4-carbaldehyde
CID 81473887
5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 112742090
4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
CID 80745978
5-thieno[2,3-b]thiophen-5-ylthieno[3,2-b]thiophene
CID 123978480

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine (CID 113490807) is 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine is CC(C)c1c(N)noc1-c1cc2sccc2s1.
What is the InChIKey of 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
The InChIKey is XOKVCONQRWILJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-6(2)10-11(15-14-12(10)13)9-5-8-7(17-9)3-4-16-8/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine has a molecular weight of 264.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 113490807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).