N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide

C19H21N3O2S — CID 119418973

IUPACN-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESCOc1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1N
InChIInChI=1S/C19H21N3O2S/c1-24-16-11-10-13(12-14(16)20)21-18(23)8-4-5-9-19-22-15-6-2-3-7-17(15)25-19/h2-3,6-7,10-12H,4-5,8-9,20H2,1H3,(H,21,23)
InChIKeyRBOWWEZQDZYVRZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.24
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide

N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide (PubChem CID 119418973) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
PubChem CID119418973
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESCOc1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1N
InChIInChI=1S/C19H21N3O2S/c1-24-16-11-10-13(12-14(16)20)21-18(23)8-4-5-9-19-22-15-6-2-3-7-17(15)25-19/h2-3,6-7,10-12H,4-5,8-9,20H2,1H3,(H,21,23)
InChIKeyRBOWWEZQDZYVRZ-UHFFFAOYSA-N
XLogP4.24
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.24
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

4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 46427440
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 55892689
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638446
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
2-[3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]phenyl]acetic acid
CID 119351780
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644
5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
CID 30295154
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide (CID 119418973) is N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide is COc1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The InChIKey is RBOWWEZQDZYVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-24-16-11-10-13(12-14(16)20)21-18(23)8-4-5-9-19-22-15-6-2-3-7-17(15)25-19/h2-3,6-7,10-12H,4-5,8-9,20H2,1H3,(H,21,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide has a molecular weight of 355.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 119418973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).