[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine

C18H14N2OS — CID 20983781

IUPAC[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C18H14N2OS/c19-10-12-4-3-6-14(8-12)18-20-15(11-22-18)17-9-13-5-1-2-7-16(13)21-17/h1-9,11H,10,19H2
InChIKeyZJIYCVYMXODTPG-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.68
Rot. Bonds3

About [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine

[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 20983781) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID20983781
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1
InChIInChI=1S/C18H14N2OS/c19-10-12-4-3-6-14(8-12)18-20-15(11-22-18)17-9-13-5-1-2-7-16(13)21-17/h1-9,11H,10,19H2
InChIKeyZJIYCVYMXODTPG-UHFFFAOYSA-N
XLogP4.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 82954381
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 9422328
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 20983781) is [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine is NCc1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1.
What is the InChIKey of [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is ZJIYCVYMXODTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c19-10-12-4-3-6-14(8-12)18-20-15(11-22-18)17-9-13-5-1-2-7-16(13)21-17/h1-9,11H,10,19H2.
What are the key properties of [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 306.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 20983781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).