1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate

C14H11NO3S — CID 51093336

IUPAC1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate
SMILESO=C(OCc1nccs1)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H11NO3S/c16-14(18-9-13-15-5-6-19-13)11-7-10-3-1-2-4-12(10)17-8-11/h1-7H,8-9H2
InChIKeyNQESBPQQRGBYQD-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.66
Rot. Bonds3

About 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate

1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate (PubChem CID 51093336) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate
PubChem CID51093336
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate
SMILESO=C(OCc1nccs1)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H11NO3S/c16-14(18-9-13-15-5-6-19-13)11-7-10-3-1-2-4-12(10)17-8-11/h1-7H,8-9H2
InChIKeyNQESBPQQRGBYQD-UHFFFAOYSA-N
XLogP2.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
CID 8744287
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
CID 8749200
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate
CID 8821537
benzyl 2-(2H-chromene-3-carbonylamino)acetate
CID 26646466
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate
CID 8742264
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2H-chromene-3-carboxylate
CID 8746428
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2H-chromene-3-carboxylate
CID 8748501
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 27199501

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate?
The IUPAC name of 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate (CID 51093336) is 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate is O=C(OCc1nccs1)C1=Cc2ccccc2OC1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate?
The InChIKey is NQESBPQQRGBYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-14(18-9-13-15-5-6-19-13)11-7-10-3-1-2-4-12(10)17-8-11/h1-7H,8-9H2.
What are the key properties of 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate?
1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate is sourced from PubChem (CID 51093336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).