N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine

C15H14N2O2S — CID 86645042

IUPACN-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nccs2)cc1OCc1ccoc1
InChIInChI=1S/C15H14N2O2S/c1-11-2-3-13(17-15-16-5-7-20-15)8-14(11)19-10-12-4-6-18-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyYDVBKWJYCXLRJK-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.37
Rot. Bonds5

About N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine

N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine (PubChem CID 86645042) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine
PubChem CID86645042
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nccs2)cc1OCc1ccoc1
InChIInChI=1S/C15H14N2O2S/c1-11-2-3-13(17-15-16-5-7-20-15)8-14(11)19-10-12-4-6-18-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyYDVBKWJYCXLRJK-UHFFFAOYSA-N
XLogP4.37
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,3-dimethylbutyrylamino)-2-methoxy-N-thiazol-2-ylbenzamide
CID 11473488
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
N-[4-chloro-3-(3-furylmethoxy)phenyl]thiazol-2-amine
CID 15956100
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-(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 N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine (CID 86645042) is N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nccs2)cc1OCc1ccoc1.
What is the InChIKey of N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine?
The InChIKey is YDVBKWJYCXLRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-2-3-13(17-15-16-5-7-20-15)8-14(11)19-10-12-4-6-18-9-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine?
N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-ylmethoxy)-4-methylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86645042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).