4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile

C17H18N2O2S — CID 168925325

IUPAC4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(-c2cnc(C3CCCO3)s2)ccc1C#N
InChIInChI=1S/C17H18N2O2S/c1-11(2)21-15-8-12(5-6-13(15)9-18)16-10-19-17(22-16)14-4-3-7-20-14/h5-6,8,10-11,14H,3-4,7H2,1-2H3
InChIKeyOMDBMPYKLISZAK-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.32
Rot. Bonds4

About 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile

4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 168925325) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile
PubChem CID168925325
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(-c2cnc(C3CCCO3)s2)ccc1C#N
InChIInChI=1S/C17H18N2O2S/c1-11(2)21-15-8-12(5-6-13(15)9-18)16-10-19-17(22-16)14-4-3-7-20-14/h5-6,8,10-11,14H,3-4,7H2,1-2H3
InChIKeyOMDBMPYKLISZAK-UHFFFAOYSA-N
XLogP4.32
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 168925562
N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-5,8-dioxaspiro[3.4]octane-2-carboxamide
CID 168925488
3-(3-fluoro-4-methylphenyl)-5-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
CID 126767030
5-[2-(1-amino-2,3-dihydro-1H-inden-4-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
CID 67196325
5-(5-bromothiophen-2-yl)-2-propan-2-yloxybenzonitrile
CID 58367148
N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide
CID 176646543
4-(2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684093
4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684094
5-[5-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
CID 118451216
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
2-cyclopropyl-4-propan-2-yloxybenzonitrile
CID 176886654
N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65328204

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 168925325) is 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1cc(-c2cnc(C3CCCO3)s2)ccc1C#N.
What is the InChIKey of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is OMDBMPYKLISZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11(2)21-15-8-12(5-6-13(15)9-18)16-10-19-17(22-16)14-4-3-7-20-14/h5-6,8,10-11,14H,3-4,7H2,1-2H3.
What are the key properties of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile?
4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 314.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 168925325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).