N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide

C14H15N5OS — CID 60873659

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C14H15N5OS/c1-8-6-16-19(7-8)9(2)13(20)18-14-17-11-4-3-10(15)5-12(11)21-14/h3-7,9H,15H2,1-2H3,(H,17,18,20)
InChIKeyVLQRXADCNYIDLR-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.58
Rot. Bonds3

About N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60873659) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID60873659
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C14H15N5OS/c1-8-6-16-19(7-8)9(2)13(20)18-14-17-11-4-3-10(15)5-12(11)21-14/h3-7,9H,15H2,1-2H3,(H,17,18,20)
InChIKeyVLQRXADCNYIDLR-UHFFFAOYSA-N
XLogP2.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide
CID 54907894
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfonylpropanamide
CID 61024285
N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 28742337
N-(6-amino-1,3-benzothiazol-2-yl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272521
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749094
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960374
N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
CID 102980709
N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide
CID 102605522
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
CID 16794893
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylimidazole-4-carboxamide
CID 103510257

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide (CID 60873659) is N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(C(C)C(=O)Nc2nc3ccc(N)cc3s2)c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is VLQRXADCNYIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-6-16-19(7-8)9(2)13(20)18-14-17-11-4-3-10(15)5-12(11)21-14/h3-7,9H,15H2,1-2H3,(H,17,18,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 301.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60873659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).