[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C19H23N3O3S — CID 8998210

IUPAC[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESC[C@@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(=O)N1CCCCCC1
InChIInChI=1S/C19H23N3O3S/c1-14(19(24)22-9-4-2-3-5-10-22)25-17(23)11-16-13-26-18(21-16)15-7-6-8-20-12-15/h6-8,12-14H,2-5,9-11H2,1H3/t14-/m1/s1
InChIKeyBTTLCRRHNNVETL-CQSZACIVSA-N
MW373.48 g/mol
LogP3.08
Rot. Bonds5

About [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8998210) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8998210
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESC[C@@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(=O)N1CCCCCC1
InChIInChI=1S/C19H23N3O3S/c1-14(19(24)22-9-4-2-3-5-10-22)25-17(23)11-16-13-26-18(21-16)15-7-6-8-20-12-15/h6-8,12-14H,2-5,9-11H2,1H3/t14-/m1/s1
InChIKeyBTTLCRRHNNVETL-CQSZACIVSA-N
XLogP3.08
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
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[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
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[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919773
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920768
1-[4-(2-methylpropyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
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(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
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CID 16674001
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55563635
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
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1-[2-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8998210) is [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is C[C@@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(=O)N1CCCCCC1.
What is the InChIKey of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is BTTLCRRHNNVETL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14(19(24)22-9-4-2-3-5-10-22)25-17(23)11-16-13-26-18(21-16)15-7-6-8-20-12-15/h6-8,12-14H,2-5,9-11H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 373.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8998210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).