N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide

C13H11N3OS — CID 110467037

IUPACN-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H11N3OS/c1-16-8-4-6-10(16)12(17)15-13-14-9-5-2-3-7-11(9)18-13/h2-8H,1H3,(H,14,15,17)
InChIKeyOFTHXSXZFKGCBM-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.89
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide

N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 110467037) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID110467037
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H11N3OS/c1-16-8-4-6-10(16)12(17)15-13-14-9-5-2-3-7-11(9)18-13/h2-8H,1H3,(H,14,15,17)
InChIKeyOFTHXSXZFKGCBM-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
CID 52694546
N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355063
N-(1,3-benzothiazol-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 1019747
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349
N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30859011
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide (CID 110467037) is N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is OFTHXSXZFKGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-16-8-4-6-10(16)12(17)15-13-14-9-5-2-3-7-11(9)18-13/h2-8H,1H3,(H,14,15,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 110467037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).