2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile

C15H11N3O2S — CID 15956099

IUPAC2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCc1ccco1
InChIInChI=1S/C15H11N3O2S/c16-9-11-3-4-12(18-15-17-5-7-21-15)8-14(11)20-10-13-2-1-6-19-13/h1-8H,10H2,(H,17,18)
InChIKeyFLMJVELWYHWWOO-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.93
Rot. Bonds5

About 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile

2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile (PubChem CID 15956099) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
PubChem CID15956099
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCc1ccco1
InChIInChI=1S/C15H11N3O2S/c16-9-11-3-4-12(18-15-17-5-7-21-15)8-14(11)20-10-13-2-1-6-19-13/h1-8H,10H2,(H,17,18)
InChIKeyFLMJVELWYHWWOO-UHFFFAOYSA-N
XLogP3.93
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 652401
2-Thiazolamine, N-[4-chloro-3-(2-furanylmethoxy)phenyl]-
CID 15956098
2-(3-Furylmethoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956101
4-(Thiazol-2-ylamino)-2-(2-thienylmethoxy)benzonitrile
CID 15956103
4-(Thiazol-2-ylamino)-2-(thiazol-2-ylmethoxy)benzonitrile
CID 15956107
4-(Thiazol-2-ylamino)-2-(3-thienylmethoxy)benzonitrile
CID 15956105
2-(Cyclopenten-1-ylmethoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956111
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967
N-(3-(Furan-2-ylmethoxy)-4-methylphenyl)thiazol-2-amine
CID 86645041
N-(3-(Furan-3-ylmethoxy)-4-methylphenyl)thiazol-2-amine
CID 86645042
2-(Cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
CID 91335138

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The IUPAC name of 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile (CID 15956099) is 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The canonical SMILES for 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile is N#Cc1ccc(Nc2nccs2)cc1OCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The InChIKey is FLMJVELWYHWWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-9-11-3-4-12(18-15-17-5-7-21-15)8-14(11)20-10-13-2-1-6-19-13/h1-8H,10H2,(H,17,18).
What are the key properties of 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile has a molecular weight of 297.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile is sourced from PubChem (CID 15956099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).