3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one

C19H14N2O2S — CID 3612453

IUPAC3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(NCc2ccccc2)n1
InChIInChI=1S/C19H14N2O2S/c22-18-15(10-14-8-4-5-9-17(14)23-18)16-12-24-19(21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,20,21)
InChIKeyNIPRRVRCFUUZTJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.53
Rot. Bonds4

About 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one

3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 3612453) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID3612453
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(NCc2ccccc2)n1
InChIInChI=1S/C19H14N2O2S/c22-18-15(10-14-8-4-5-9-17(14)23-18)16-12-24-19(21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,20,21)
InChIKeyNIPRRVRCFUUZTJ-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-benzhydrylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 4006186
3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
CID 71419333
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one
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3-[2-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 2851169
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193
3-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900301
3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
CID 886838
2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 41340432
1-(3-chlorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
CID 5146841
3-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 3792994
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 705931

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one (CID 3612453) is 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1csc(NCc2ccccc2)n1.
What is the InChIKey of 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is NIPRRVRCFUUZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18-15(10-14-8-4-5-9-17(14)23-18)16-12-24-19(21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,20,21).
What are the key properties of 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one?
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 334.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 3612453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).