methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate

C14H13NO3S — CID 80572524

IUPACmethyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CCOc3ccccc32)s1
InChIInChI=1S/C14H13NO3S/c1-17-14(16)12-8-15-13(19-12)10-6-7-18-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3
InChIKeyKYSBAMHCJMSNJU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.84
Rot. Bonds2

About methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate

methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572524) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID80572524
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Namemethyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CCOc3ccccc32)s1
InChIInChI=1S/C14H13NO3S/c1-17-14(16)12-8-15-13(19-12)10-6-7-18-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3
InChIKeyKYSBAMHCJMSNJU-UHFFFAOYSA-N
XLogP2.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
CID 65404990
methyl 5-acetyl-2-(2,3-dihydro-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylate
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methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 104768768
methyl 2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474215
methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
CID 116646662
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406397
methyl 5-[3,4-dihydro-2H-chromen-4-yl(hydroxy)methyl]furan-2-carboxylate
CID 106947127
methyl 3-(3,4-dihydro-2H-chromen-4-yl)prop-2-ynoate
CID 64534380
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841063
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate (CID 80572524) is methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2CCOc3ccccc32)s1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is KYSBAMHCJMSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-17-14(16)12-8-15-13(19-12)10-6-7-18-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).