[5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid

C14H12N4O2S — CID 87562851

IUPAC[5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid
SMILESNc1nc2ccc(-c3cncc(CNC(=O)O)c3)cc2s1
InChIInChI=1S/C14H12N4O2S/c15-13-18-11-2-1-9(4-12(11)21-13)10-3-8(5-16-7-10)6-17-14(19)20/h1-5,7,17H,6H2,(H2,15,18)(H,19,20)
InChIKeyZVQAMASODXSLDI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.71
Rot. Bonds3

About [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid

[5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid (PubChem CID 87562851) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid
PubChem CID87562851
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name[5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid
SMILESNc1nc2ccc(-c3cncc(CNC(=O)O)c3)cc2s1
InChIInChI=1S/C14H12N4O2S/c15-13-18-11-2-1-9(4-12(11)21-13)10-3-8(5-16-7-10)6-17-14(19)20/h1-5,7,17H,6H2,(H2,15,18)(H,19,20)
InChIKeyZVQAMASODXSLDI-UHFFFAOYSA-N
XLogP2.71
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate
CID 155146767
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 122184536
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 155146663
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]pentanamide;dodecane
CID 143717126
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
4-(2-amino-1,3-benzothiazol-6-yl)-3,3-dimethylbutanoic acid
CID 116999762
[3-(4,5-diamino-3-pyridinyl)phenyl]methylcarbamic acid
CID 155070178
N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
CID 143886131
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
CID 116994111

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid (CID 87562851) is [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid is Nc1nc2ccc(-c3cncc(CNC(=O)O)c3)cc2s1.
What is the InChIKey of [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid?
The InChIKey is ZVQAMASODXSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-13-18-11-2-1-9(4-12(11)21-13)10-3-8(5-16-7-10)6-17-14(19)20/h1-5,7,17H,6H2,(H2,15,18)(H,19,20).
What are the key properties of [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid?
[5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid has a molecular weight of 300.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 87562851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).