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

C15H11N3OS2 — CID 15956103

IUPAC4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCc1cccs1
InChIInChI=1S/C15H11N3OS2/c16-9-11-3-4-12(18-15-17-5-7-21-15)8-14(11)19-10-13-2-1-6-20-13/h1-8H,10H2,(H,17,18)
InChIKeyWFEXGYYHDLDAPW-UHFFFAOYSA-N
MW313.41 g/mol
LogP4.40
Rot. Bonds5

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

4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile (PubChem CID 15956103) has the molecular formula C15H11N3OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile
PubChem CID15956103
Molecular FormulaC15H11N3OS2
Molecular Weight313.41 g/mol
Exact Mass313.03
IUPAC Name4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCc1cccs1
InChIInChI=1S/C15H11N3OS2/c16-9-11-3-4-12(18-15-17-5-7-21-15)8-14(11)19-10-13-2-1-6-20-13/h1-8H,10H2,(H,17,18)
InChIKeyWFEXGYYHDLDAPW-UHFFFAOYSA-N
XLogP4.40
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 54.40
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-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
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
N-[4-chloro-3-(3-thienylmethoxy)phenyl]thiazol-2-amine
CID 15956104
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
N-[4-isopropyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956095

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile?
The IUPAC name of 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile (CID 15956103) is 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile?
The canonical SMILES for 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile is N#Cc1ccc(Nc2nccs2)cc1OCc1cccs1.
What is the InChIKey of 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile?
The InChIKey is WFEXGYYHDLDAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS2/c16-9-11-3-4-12(18-15-17-5-7-21-15)8-14(11)19-10-13-2-1-6-20-13/h1-8H,10H2,(H,17,18).
What are the key properties of 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile?
4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile has a molecular weight of 313.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylamino)-2-(thiophen-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 15956103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).