ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate

C18H20N2O4S — CID 60572662

IUPACethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(OCC3CC3)cc2)n1
InChIInChI=1S/C18H20N2O4S/c1-2-23-16(21)9-14-11-25-18(19-14)20-17(22)13-5-7-15(8-6-13)24-10-12-3-4-12/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20,22)
InChIKeyDTONGURLZRQDCG-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.29
Rot. Bonds8

About ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 60572662) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID60572662
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Nameethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(OCC3CC3)cc2)n1
InChIInChI=1S/C18H20N2O4S/c1-2-23-16(21)9-14-11-25-18(19-14)20-17(22)13-5-7-15(8-6-13)24-10-12-3-4-12/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20,22)
InChIKeyDTONGURLZRQDCG-UHFFFAOYSA-N
XLogP3.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-[[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 121094373
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 17309220
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 41038012
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 60572662) is ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(OCC3CC3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DTONGURLZRQDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-23-16(21)9-14-11-25-18(19-14)20-17(22)13-5-7-15(8-6-13)24-10-12-3-4-12/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20,22).
What are the key properties of ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 360.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 60572662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).