N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide

C17H21ClN2OS — CID 142442719

IUPACN-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCCc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H21ClN2OS/c18-13-7-8-14-15(11-13)22-17(20-14)6-3-9-19-16(21)10-12-4-1-2-5-12/h7-8,11-12H,1-6,9-10H2,(H,19,21)
InChIKeyOIZCMVPFONTXDN-UHFFFAOYSA-N
MW336.89 g/mol
LogP4.58
Rot. Bonds6

About N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide

N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide (PubChem CID 142442719) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide
PubChem CID142442719
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCCc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H21ClN2OS/c18-13-7-8-14-15(11-13)22-17(20-14)6-3-9-19-16(21)10-12-4-1-2-5-12/h7-8,11-12H,1-6,9-10H2,(H,19,21)
InChIKeyOIZCMVPFONTXDN-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119698367
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 79528103
1,5-bis(6-chloro-1,3-benzothiazol-2-yl)pentan-3-one
CID 174833116
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 43982264
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 71983741
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide
CID 43069942
N-[1-[(1-amino-2-cyclohexylethyl)amino]-3-(6-chloro-1,3-benzothiazol-2-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 174991254
N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
CID 20965272
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide?
The IUPAC name of N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide (CID 142442719) is N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCCCc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide?
The InChIKey is OIZCMVPFONTXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c18-13-7-8-14-15(11-13)22-17(20-14)6-3-9-19-16(21)10-12-4-1-2-5-12/h7-8,11-12H,1-6,9-10H2,(H,19,21).
What are the key properties of N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide?
N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide has a molecular weight of 336.89 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide is sourced from PubChem (CID 142442719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).