2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride

C15H15ClN4O2S — CID 142322408

IUPAC2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride
SMILESCOc1ccc2sc(-c3cncc(NC(=O)CN)c3)nc2c1.Cl
InChIInChI=1S/C15H14N4O2S.ClH/c1-21-11-2-3-13-12(5-11)19-15(22-13)9-4-10(8-17-7-9)18-14(20)6-16;/h2-5,7-8H,6,16H2,1H3,(H,18,20);1H
InChIKeyKLFUMLXMBKEGCE-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride

2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride (PubChem CID 142322408) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride
PubChem CID142322408
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride
SMILESCOc1ccc2sc(-c3cncc(NC(=O)CN)c3)nc2c1.Cl
InChIInChI=1S/C15H14N4O2S.ClH/c1-21-11-2-3-13-12(5-11)19-15(22-13)9-4-10(8-17-7-9)18-14(20)6-16;/h2-5,7-8H,6,16H2,1H3,(H,18,20);1H
InChIKeyKLFUMLXMBKEGCE-UHFFFAOYSA-N
XLogP2.69
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;S-methylthiohydroxylamine
CID 142322420
N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
CID 134434300
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
2-amino-N-[4-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]-3,5-dimethylphenyl]acetamide
CID 68566832
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
CID 134434727
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
(5-bromo-3-pyridinyl)methanamine;N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide;5-methoxy-1,3-benzothiazole;N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
CID 162168040
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
2-[3-(1,3-benzothiazol-2-yl)anilino]-1-(4-methoxyphenyl)ethanone
CID 110825743
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride (CID 142322408) is 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride is COc1ccc2sc(-c3cncc(NC(=O)CN)c3)nc2c1.Cl.
What is the InChIKey of 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride?
The InChIKey is KLFUMLXMBKEGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S.ClH/c1-21-11-2-3-13-12(5-11)19-15(22-13)9-4-10(8-17-7-9)18-14(20)6-16;/h2-5,7-8H,6,16H2,1H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride?
2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride has a molecular weight of 350.83 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride is sourced from PubChem (CID 142322408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).