N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

C14H17N3O2S — CID 18071816

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCCN3)sc2c1
InChIInChI=1S/C14H17N3O2S/c1-2-19-9-5-6-10-12(8-9)20-14(16-10)17-13(18)11-4-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17,18)
InChIKeyTYYRVWZNWVLFGA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.39
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 18071816) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID18071816
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCCN3)sc2c1
InChIInChI=1S/C14H17N3O2S/c1-2-19-9-5-6-10-12(8-9)20-14(16-10)17-13(18)11-4-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17,18)
InChIKeyTYYRVWZNWVLFGA-UHFFFAOYSA-N
XLogP2.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262466
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 119277660
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982440
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 43049380
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (CID 18071816) is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide is CCOc1ccc2nc(NC(=O)C3CCCN3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is TYYRVWZNWVLFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-19-9-5-6-10-12(8-9)20-14(16-10)17-13(18)11-4-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17,18).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 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)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18071816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).