N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide

C18H23N3O2S — CID 17464140

IUPACN-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)CC1(C(=O)Nc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C18H23N3O2S/c1-12(2)19-15(22)11-18(9-5-6-10-18)16(23)21-17-20-13-7-3-4-8-14(13)24-17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyLYILDLZDIVVQEM-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.71
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide

N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 17464140) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID17464140
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)CC1(C(=O)Nc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C18H23N3O2S/c1-12(2)19-15(22)11-18(9-5-6-10-18)16(23)21-17-20-13-7-3-4-8-14(13)24-17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyLYILDLZDIVVQEM-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 9193479
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 115452221
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110912916
N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 60564426
N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107424029
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide (CID 17464140) is N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide is CC(C)NC(=O)CC1(C(=O)Nc2nc3ccccc3s2)CCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is LYILDLZDIVVQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)19-15(22)11-18(9-5-6-10-18)16(23)21-17-20-13-7-3-4-8-14(13)24-17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 17464140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).