N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide

C15H19N3O2S — CID 28535611

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
SMILESNc1ccc2nc(NC(=O)CCCOCC3CC3)sc2c1
InChIInChI=1S/C15H19N3O2S/c16-11-5-6-12-13(8-11)21-15(17-12)18-14(19)2-1-7-20-9-10-3-4-10/h5-6,8,10H,1-4,7,9,16H2,(H,17,18,19)
InChIKeyPCDIMUMLUGGSCF-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.02
Rot. Bonds7

About N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide

N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide (PubChem CID 28535611) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
PubChem CID28535611
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
SMILESNc1ccc2nc(NC(=O)CCCOCC3CC3)sc2c1
InChIInChI=1S/C15H19N3O2S/c16-11-5-6-12-13(8-11)21-15(17-12)18-14(19)2-1-7-20-9-10-3-4-10/h5-6,8,10H,1-4,7,9,16H2,(H,17,18,19)
InChIKeyPCDIMUMLUGGSCF-UHFFFAOYSA-N
XLogP3.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
CID 62115980
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropanamide
CID 29295136
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161486
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60974238
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpropylsulfanyl)propanamide
CID 43125824
N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
CID 63115305
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108761864
N-(6-amino-1,3-benzothiazol-2-yl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288036
[4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butyl] carbamate
CID 122625133
N-(6-amino-1,3-benzothiazol-2-yl)-3-[2-cyanoethyl(methyl)amino]propanamide
CID 28527172

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide (CID 28535611) is N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide is Nc1ccc2nc(NC(=O)CCCOCC3CC3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide?
The InChIKey is PCDIMUMLUGGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-11-5-6-12-13(8-11)21-15(17-12)18-14(19)2-1-7-20-9-10-3-4-10/h5-6,8,10H,1-4,7,9,16H2,(H,17,18,19).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide has a molecular weight of 305.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide is sourced from PubChem (CID 28535611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).