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

C20H25N3O3S — CID 8919957

IUPAC[(2R)-1-(cyclohexylmethylamino)-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)NCC1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-14(19(25)22-11-15-6-3-2-4-7-15)26-18(24)10-17-13-27-20(23-17)16-8-5-9-21-12-16/h5,8-9,12-15H,2-4,6-7,10-11H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyNBGBUDBUOYASBA-CQSZACIVSA-N
MW387.51 g/mol
LogP3.38
Rot. Bonds7

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

[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8919957) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8919957
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name[(2R)-1-(cyclohexylmethylamino)-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)NCC1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-14(19(25)22-11-15-6-3-2-4-7-15)26-18(24)10-17-13-27-20(23-17)16-8-5-9-21-12-16/h5,8-9,12-15H,2-4,6-7,10-11H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyNBGBUDBUOYASBA-CQSZACIVSA-N
XLogP3.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8998210
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920212
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 51874973
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920768
[(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
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18288385
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307468
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130241
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 8997632

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8919957) is [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(2R)-1-(cyclohexylmethylamino)-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)NCC1CCCCC1.
What is the InChIKey of [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is NBGBUDBUOYASBA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14(19(25)22-11-15-6-3-2-4-7-15)26-18(24)10-17-13-27-20(23-17)16-8-5-9-21-12-16/h5,8-9,12-15H,2-4,6-7,10-11H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 387.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8919957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).