N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C15H14N2O2S — CID 652138

IUPACN-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14N2O2S/c1-18-12-6-4-11(5-7-12)14-10-20-15(17-14)16-9-13-3-2-8-19-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyHHKVFZOGQMUNSZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.02
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 652138) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID652138
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14N2O2S/c1-18-12-6-4-11(5-7-12)14-10-20-15(17-14)16-9-13-3-2-8-19-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyHHKVFZOGQMUNSZ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 652138) is N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NCc3ccco3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is HHKVFZOGQMUNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-18-12-6-4-11(5-7-12)14-10-20-15(17-14)16-9-13-3-2-8-19-13/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 652138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).