(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate

C21H18N2O3S — CID 78876841

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)OCc3cnc(-c4ccccc4)s3)c2c1
InChIInChI=1S/C21H18N2O3S/c1-25-16-7-8-19-18(10-16)15(11-22-19)9-20(24)26-13-17-12-23-21(27-17)14-5-3-2-4-6-14/h2-8,10-12,22H,9,13H2,1H3
InChIKeyDNHBHGRNZFSFIN-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.59
Rot. Bonds6

About (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate

(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate (PubChem CID 78876841) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
PubChem CID78876841
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)OCc3cnc(-c4ccccc4)s3)c2c1
InChIInChI=1S/C21H18N2O3S/c1-25-16-7-8-19-18(10-16)15(11-22-19)9-20(24)26-13-17-12-23-21(27-17)14-5-3-2-4-6-14/h2-8,10-12,22H,9,13H2,1H3
InChIKeyDNHBHGRNZFSFIN-UHFFFAOYSA-N
XLogP4.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78876840
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 154833363
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-phenylacetamide
CID 86985638
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110890145
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate (CID 78876841) is (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate is COc1ccc2[nH]cc(CC(=O)OCc3cnc(-c4ccccc4)s3)c2c1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The InChIKey is DNHBHGRNZFSFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-25-16-7-8-19-18(10-16)15(11-22-19)9-20(24)26-13-17-12-23-21(27-17)14-5-3-2-4-6-14/h2-8,10-12,22H,9,13H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate?
(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate has a molecular weight of 378.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 78876841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).