[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate

C14H18Cl2N2O3S — CID 3220362

IUPAC[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)C(OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-7(2)11(13(19)17-8-5-3-4-6-8)21-14(20)10-9(15)12(16)22-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyCMUPUOZYUIMSBA-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.69
Rot. Bonds5

About [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate

[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 3220362) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID3220362
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)C(OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-7(2)11(13(19)17-8-5-3-4-6-8)21-14(20)10-9(15)12(16)22-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyCMUPUOZYUIMSBA-UHFFFAOYSA-N
XLogP3.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470332
[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470315
[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470305
[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470388
[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 6-chloropyridine-3-carboxylate
CID 1431901
[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470115
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3220263
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)-1,2-thiazole-3-carboxamide
CID 3197081
[(2S)-1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409282
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-1,2-thiazole-3-carboxamide
CID 3197070
4,5-dichloro-N-[(1S)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide
CID 98101823
4,5-dichloro-N-[(1S)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 98101642

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 3220362) is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is CC(C)C(OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is CMUPUOZYUIMSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-7(2)11(13(19)17-8-5-3-4-6-8)21-14(20)10-9(15)12(16)22-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19).
What are the key properties of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 365.28 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 3220362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).