ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate

C15H17N3O3S — CID 164643246

IUPACethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)sn1
InChIInChI=1S/C15H17N3O3S/c1-3-21-15(20)13(9-11-4-6-16-7-5-11)17-14(19)12-8-10(2)22-18-12/h4-8,13H,3,9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyIPQQRVXWGRTOOW-ZDUSSCGKSA-N
MW319.39 g/mol
LogP1.75
Rot. Bonds6

About ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate

ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate (PubChem CID 164643246) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate
PubChem CID164643246
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)sn1
InChIInChI=1S/C15H17N3O3S/c1-3-21-15(20)13(9-11-4-6-16-7-5-11)17-14(19)12-8-10(2)22-18-12/h4-8,13H,3,9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyIPQQRVXWGRTOOW-ZDUSSCGKSA-N
XLogP1.75
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
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CID 101157552
diethyl 2-(pyridin-4-ylmethyl)butanedioate
CID 14982424
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
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ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate
CID 22494133

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate?
The IUPAC name of ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate (CID 164643246) is ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate is CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)sn1.
What is the InChIKey of ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate?
The InChIKey is IPQQRVXWGRTOOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-21-15(20)13(9-11-4-6-16-7-5-11)17-14(19)12-8-10(2)22-18-12/h4-8,13H,3,9H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate?
ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate has a molecular weight of 319.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 164643246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).