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

C14H10N4OS2 — CID 15956107

IUPAC4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCc1nccs1
InChIInChI=1S/C14H10N4OS2/c15-8-10-1-2-11(18-14-17-4-6-21-14)7-12(10)19-9-13-16-3-5-20-13/h1-7H,9H2,(H,17,18)
InChIKeyBUQMWQHUCXLLSS-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.79
Rot. Bonds5

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

4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile (PubChem CID 15956107) has the molecular formula C14H10N4OS2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile
PubChem CID15956107
Molecular FormulaC14H10N4OS2
Molecular Weight314.40 g/mol
Exact Mass314.03
IUPAC Name4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCc1nccs1
InChIInChI=1S/C14H10N4OS2/c15-8-10-1-2-11(18-14-17-4-6-21-14)7-12(10)19-9-13-16-3-5-20-13/h1-7H,9H2,(H,17,18)
InChIKeyBUQMWQHUCXLLSS-UHFFFAOYSA-N
XLogP3.79
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
4-(Thiazol-2-ylamino)-2-(2-thienylmethoxy)benzonitrile
CID 15956103
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
4-[(5-Fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-2-pentoxybenzonitrile
CID 57573785

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile?
The IUPAC name of 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile (CID 15956107) is 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile?
The canonical SMILES for 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile is N#Cc1ccc(Nc2nccs2)cc1OCc1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile?
The InChIKey is BUQMWQHUCXLLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS2/c15-8-10-1-2-11(18-14-17-4-6-21-14)7-12(10)19-9-13-16-3-5-20-13/h1-7H,9H2,(H,17,18).
What are the key properties of 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile?
4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile has a molecular weight of 314.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylamino)-2-(1,3-thiazol-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 15956107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).