N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide

C18H21N3O2S — CID 9193479

IUPACN-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESO=C(CC1(C(=O)Nc2nc3ccccc3s2)CCCC1)NC1CC1
InChIInChI=1S/C18H21N3O2S/c22-15(19-12-7-8-12)11-18(9-3-4-10-18)16(23)21-17-20-13-5-1-2-6-14(13)24-17/h1-2,5-6,12H,3-4,7-11H2,(H,19,22)(H,20,21,23)
InChIKeyHLDBGWKNEVLSFT-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.46
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide

N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 9193479) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID9193479
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESO=C(CC1(C(=O)Nc2nc3ccccc3s2)CCCC1)NC1CC1
InChIInChI=1S/C18H21N3O2S/c22-15(19-12-7-8-12)11-18(9-3-4-10-18)16(23)21-17-20-13-5-1-2-6-14(13)24-17/h1-2,5-6,12H,3-4,7-11H2,(H,19,22)(H,20,21,23)
InChIKeyHLDBGWKNEVLSFT-UHFFFAOYSA-N
XLogP3.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 17464140
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
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 9193479) is N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide is O=C(CC1(C(=O)Nc2nc3ccccc3s2)CCCC1)NC1CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is HLDBGWKNEVLSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-15(19-12-7-8-12)11-18(9-3-4-10-18)16(23)21-17-20-13-5-1-2-6-14(13)24-17/h1-2,5-6,12H,3-4,7-11H2,(H,19,22)(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.46, 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-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 9193479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).