[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

C20H20N2O3S2 — CID 55316672

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)NC1CCCC1
InChIInChI=1S/C20H20N2O3S2/c1-12(18(23)21-13-6-2-3-7-13)25-20(24)17-11-10-16(26-17)19-22-14-8-4-5-9-15(14)27-19/h4-5,8-13H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyVVVVJPNJSCFNFD-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.63
Rot. Bonds5

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (PubChem CID 55316672) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
PubChem CID55316672
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)NC1CCCC1
InChIInChI=1S/C20H20N2O3S2/c1-12(18(23)21-13-6-2-3-7-13)25-20(24)17-11-10-16(26-17)19-22-14-8-4-5-9-15(14)27-19/h4-5,8-13H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyVVVVJPNJSCFNFD-UHFFFAOYSA-N
XLogP4.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887409
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887410
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 7846965
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2519984
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322
[2-(methylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2436417
oxolan-2-ylmethyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 42896613
5-(1,3-benzothiazol-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 55951601
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
CID 25487919
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2631136
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825300
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666350

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (CID 55316672) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is CC(OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The InChIKey is VVVVJPNJSCFNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-12(18(23)21-13-6-2-3-7-13)25-20(24)17-11-10-16(26-17)19-22-14-8-4-5-9-15(14)27-19/h4-5,8-13H,2-3,6-7H2,1H3,(H,21,23).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate has a molecular weight of 400.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 55316672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).