2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile

C15H13N3OS — CID 91335138

IUPAC2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OC1=CCCC1
InChIInChI=1S/C15H13N3OS/c16-10-11-5-6-12(18-15-17-7-8-20-15)9-14(11)19-13-3-1-2-4-13/h3,5-9H,1-2,4H2,(H,17,18)
InChIKeyWSTXJZUBCIWWND-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.20
Rot. Bonds4

About 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile

2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile (PubChem CID 91335138) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
PubChem CID91335138
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OC1=CCCC1
InChIInChI=1S/C15H13N3OS/c16-10-11-5-6-12(18-15-17-7-8-20-15)9-14(11)19-13-3-1-2-4-13/h3,5-9H,1-2,4H2,(H,17,18)
InChIKeyWSTXJZUBCIWWND-UHFFFAOYSA-N
XLogP4.20
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956091
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956093
2-(2-Furylmethoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956099
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
N-[3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956089
4-(Thiazol-2-ylamino)-2-(3-thienylmethoxy)benzonitrile
CID 15956105
2-(Cyclopenten-1-ylmethoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956111
N-[3-(3-methylbut-2-enoxy)-4-propyl-phenyl]thiazol-2-amine
CID 15956094

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The IUPAC name of 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile (CID 91335138) is 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The canonical SMILES for 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile is N#Cc1ccc(Nc2nccs2)cc1OC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The InChIKey is WSTXJZUBCIWWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-10-11-5-6-12(18-15-17-7-8-20-15)9-14(11)19-13-3-1-2-4-13/h3,5-9H,1-2,4H2,(H,17,18).
What are the key properties of 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile has a molecular weight of 283.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yloxy)-4-(1,3-thiazol-2-ylamino)benzonitrile is sourced from PubChem (CID 91335138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).