ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate

C8H8ClN3O2S — CID 3851603

IUPACethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H8ClN3O2S/c1-2-14-6(13)4-11-8-12-7(9)5(3-10)15-8/h2,4H2,1H3,(H,11,12)
InChIKeyPXVIWSTWEYYIOC-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.64
Rot. Bonds4

About ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate

ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate (PubChem CID 3851603) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
PubChem CID3851603
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Nameethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H8ClN3O2S/c1-2-14-6(13)4-11-8-12-7(9)5(3-10)15-8/h2,4H2,1H3,(H,11,12)
InChIKeyPXVIWSTWEYYIOC-UHFFFAOYSA-N
XLogP1.64
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide
CID 106595138
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 106595759
4-chloro-2-[(2-hydroxy-2-methylpentyl)amino]-1,3-thiazole-5-carbonitrile
CID 106294542
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601
tert-butyl N-[3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]propyl]carbamate
CID 106595892
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide
CID 106595779
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806
methyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-4-methylpentanoate
CID 106595421
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide
CID 106338129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate (CID 3851603) is ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate is CCOC(=O)CNc1nc(Cl)c(C#N)s1.
What is the InChIKey of ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is PXVIWSTWEYYIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c1-2-14-6(13)4-11-8-12-7(9)5(3-10)15-8/h2,4H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate?
ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 245.69 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 3851603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).