ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H23N3O4S — CID 27147641

IUPACethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)nc1C
InChIInChI=1S/C16H23N3O4S/c1-4-23-15(22)13-9(2)17-16(24-13)19-14(21)12(18-10(3)20)11-7-5-6-8-11/h11-12H,4-8H2,1-3H3,(H,18,20)(H,17,19,21)/t12-/m0/s1
InChIKeyHSIDZEZWYRXKSN-LBPRGKRZSA-N
MW353.44 g/mol
LogP2.26
Rot. Bonds6

About ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 27147641) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID27147641
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Nameethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)nc1C
InChIInChI=1S/C16H23N3O4S/c1-4-23-15(22)13-9(2)17-16(24-13)19-14(21)12(18-10(3)20)11-7-5-6-8-11/h11-12H,4-8H2,1-3H3,(H,18,20)(H,17,19,21)/t12-/m0/s1
InChIKeyHSIDZEZWYRXKSN-LBPRGKRZSA-N
XLogP2.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-[2-(cyclopropylmethoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86847229
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 22197814
ethyl 2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 35760818
ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2890942
ethyl 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41141927
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19206940
ethyl 2-[[2-[(2R)-2-acetamido-4-methylsulfanylbutanoyl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 40629052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 27147641) is ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)nc1C.
What is the InChIKey of ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HSIDZEZWYRXKSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-4-23-15(22)13-9(2)17-16(24-13)19-14(21)12(18-10(3)20)11-7-5-6-8-11/h11-12H,4-8H2,1-3H3,(H,18,20)(H,17,19,21)/t12-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 353.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 27147641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).