ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate

C16H17N3O4S2 — CID 43968648

IUPACethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc3c(OC)cc(OC)cc3s2)n1
InChIInChI=1S/C16H17N3O4S2/c1-4-23-13(20)5-9-8-24-15(17-9)19-16-18-14-11(22-3)6-10(21-2)7-12(14)25-16/h6-8H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyQWQMSDQPVRHUIV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.62
Rot. Bonds7

About ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 43968648) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID43968648
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Nameethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc3c(OC)cc(OC)cc3s2)n1
InChIInChI=1S/C16H17N3O4S2/c1-4-23-13(20)5-9-8-24-15(17-9)19-16-18-14-11(22-3)6-10(21-2)7-12(14)25-16/h6-8H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyQWQMSDQPVRHUIV-UHFFFAOYSA-N
XLogP3.62
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 82859828
ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 80574636
ethyl 2-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 1083515
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 107580572
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate (CID 43968648) is ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2nc3c(OC)cc(OC)cc3s2)n1.
What is the InChIKey of ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QWQMSDQPVRHUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-4-23-13(20)5-9-8-24-15(17-9)19-16-18-14-11(22-3)6-10(21-2)7-12(14)25-16/h6-8H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 379.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43968648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).