2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide

C14H12N4O2S — CID 57412038

IUPAC2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(N)sc3c2)ccn1
InChIInChI=1S/C14H12N4O2S/c1-20-12-7-9(4-5-16-12)17-13(19)8-2-3-10-11(6-8)21-14(15)18-10/h2-7H,1H3,(H2,15,18)(H,16,17,19)
InChIKeyUOMNLTBYMZCQDC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 57412038) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide
PubChem CID57412038
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(N)sc3c2)ccn1
InChIInChI=1S/C14H12N4O2S/c1-20-12-7-9(4-5-16-12)17-13(19)8-2-3-10-11(6-8)21-14(15)18-10/h2-7H,1H3,(H2,15,18)(H,16,17,19)
InChIKeyUOMNLTBYMZCQDC-UHFFFAOYSA-N
XLogP2.53
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide (CID 57412038) is 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide is COc1cc(NC(=O)c2ccc3nc(N)sc3c2)ccn1.
What is the InChIKey of 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is UOMNLTBYMZCQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-12-7-9(4-5-16-12)17-13(19)8-2-3-10-11(6-8)21-14(15)18-10/h2-7H,1H3,(H2,15,18)(H,16,17,19).
What are the key properties of 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-4-pyridinyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 57412038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).