2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C18H18N2O4S — CID 22170797

IUPAC2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ncc(C(C)C)s3)cc(=O)oc2c1
InChIInChI=1S/C18H18N2O4S/c1-10(2)15-9-19-18(25-15)20-16(21)6-11-7-17(22)24-14-8-12(23-3)4-5-13(11)14/h4-5,7-10H,6H2,1-3H3,(H,19,20,21)
InChIKeyAUUGOXYLGDALDH-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.56
Rot. Bonds5

About 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 22170797) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID22170797
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ncc(C(C)C)s3)cc(=O)oc2c1
InChIInChI=1S/C18H18N2O4S/c1-10(2)15-9-19-18(25-15)20-16(21)6-11-7-17(22)24-14-8-12(23-3)4-5-13(11)14/h4-5,7-10H,6H2,1-3H3,(H,19,20,21)
InChIKeyAUUGOXYLGDALDH-UHFFFAOYSA-N
XLogP3.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7534803
(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 6723110
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 24509636
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 22170797) is 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is COc1ccc2c(CC(=O)Nc3ncc(C(C)C)s3)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is AUUGOXYLGDALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10(2)15-9-19-18(25-15)20-16(21)6-11-7-17(22)24-14-8-12(23-3)4-5-13(11)14/h4-5,7-10H,6H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22170797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).