2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide

C14H18N4OS — CID 103576642

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
SMILESCC1CN(CC(=O)Nc2nc3ccccc3s2)CC1N
InChIInChI=1S/C14H18N4OS/c1-9-6-18(7-10(9)15)8-13(19)17-14-16-11-4-2-3-5-12(11)20-14/h2-5,9-10H,6-8,15H2,1H3,(H,16,17,19)
InChIKeyKZZOICAWTPNEAP-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.51
Rot. Bonds3

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide (PubChem CID 103576642) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
PubChem CID103576642
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
SMILESCC1CN(CC(=O)Nc2nc3ccccc3s2)CC1N
InChIInChI=1S/C14H18N4OS/c1-9-6-18(7-10(9)15)8-13(19)17-14-16-11-4-2-3-5-12(11)20-14/h2-5,9-10H,6-8,15H2,1H3,(H,16,17,19)
InChIKeyKZZOICAWTPNEAP-UHFFFAOYSA-N
XLogP1.51
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
CID 103576964
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
[(1R,3S,4R)-3,4-dimethylcyclohexyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
CID 11878022
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide (CID 103576642) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide is CC1CN(CC(=O)Nc2nc3ccccc3s2)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide?
The InChIKey is KZZOICAWTPNEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-6-18(7-10(9)15)8-13(19)17-14-16-11-4-2-3-5-12(11)20-14/h2-5,9-10H,6-8,15H2,1H3,(H,16,17,19).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 103576642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).