ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C19H20N2O5S — CID 108805207

IUPACethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)n1
InChIInChI=1S/C19H20N2O5S/c1-4-25-16(23)8-12-10-27-18(20-12)21-17(24)11-5-6-15-13(7-11)14(22)9-19(2,3)26-15/h5-7,10H,4,8-9H2,1-3H3,(H,20,21,24)
InChIKeyKHTDNXYAIYWWRA-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.24
Rot. Bonds5

About ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 108805207) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID108805207
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Nameethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)n1
InChIInChI=1S/C19H20N2O5S/c1-4-25-16(23)8-12-10-27-18(20-12)21-17(24)11-5-6-15-13(7-11)14(22)9-19(2,3)26-15/h5-7,10H,4,8-9H2,1-3H3,(H,20,21,24)
InChIKeyKHTDNXYAIYWWRA-UHFFFAOYSA-N
XLogP3.24
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805107
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
ethyl 2-[2-[[4-(3,5-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 86614384
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 60572662
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793302

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 108805207) is ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)n1.
What is the InChIKey of ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KHTDNXYAIYWWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-4-25-16(23)8-12-10-27-18(20-12)21-17(24)11-5-6-15-13(7-11)14(22)9-19(2,3)26-15/h5-7,10H,4,8-9H2,1-3H3,(H,20,21,24).
What are the key properties of ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 388.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 108805207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).