N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C19H23N3O2S — CID 8883276

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(C)n(C(C)C)c3C)sc2c1
InChIInChI=1S/C19H23N3O2S/c1-6-24-14-7-8-16-17(10-14)25-19(20-16)21-18(23)15-9-12(4)22(11(2)3)13(15)5/h7-11H,6H2,1-5H3,(H,20,21,23)
InChIKeyHJGUUROACSLPHH-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.95
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 8883276) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID8883276
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(C)n(C(C)C)c3C)sc2c1
InChIInChI=1S/C19H23N3O2S/c1-6-24-14-7-8-16-17(10-14)25-19(20-16)21-18(23)15-9-12(4)22(11(2)3)13(15)5/h7-11H,6H2,1-5H3,(H,20,21,23)
InChIKeyHJGUUROACSLPHH-UHFFFAOYSA-N
XLogP4.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691334
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
3-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29096070
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 8883276) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is CCOc1ccc2nc(NC(=O)c3cc(C)n(C(C)C)c3C)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is HJGUUROACSLPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-6-24-14-7-8-16-17(10-14)25-19(20-16)21-18(23)15-9-12(4)22(11(2)3)13(15)5/h7-11H,6H2,1-5H3,(H,20,21,23).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 8883276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).