1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene

C13H14N4OS2 — CID 160644198

IUPAC1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-4-5-3-1;3*1-2-5-3-4-1/h1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyRJOJXSAPICUDMN-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.98
Rot. Bonds

About 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene

1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene (PubChem CID 160644198) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene
PubChem CID160644198
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC Name1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-4-5-3-1;3*1-2-5-3-4-1/h1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyRJOJXSAPICUDMN-UHFFFAOYSA-N
XLogP3.98
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole
CID 157741645
1H-imidazole;1-methylimidazole;bis(1,3-oxazole);bis(1,3-thiazole);thiophene
CID 157851444
1H-imidazole;pentakis(2-methylpropane);1,3,4-oxadiazole;1,3-oxazole;1,3-thiazole;thiophene
CID 158927067
1H-imidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);bis(1,3-thiazole);thiophene
CID 160305950
tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tris(1,3-oxazole);tris(1,3-thiazole);thiophene
CID 161363365
tris(1H-imidazole);1-methylimidazole;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;tetrakis(1,3-oxazole);bis(1,3-thiazole);thiophene
CID 161810386
1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene
CID 174908550

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene?
The IUPAC name of 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene (CID 160644198) is 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene?
The canonical SMILES for 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene is c1c[nH]cn1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene?
The InChIKey is RJOJXSAPICUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-4-5-3-1;3*1-2-5-3-4-1/h1-4H;1-3H,(H,4,5);2*1-3H.
What are the key properties of 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene?
1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene has a molecular weight of 306.42 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;1,3-thiazole;thiophene is sourced from PubChem (CID 160644198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).