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

C14H18N4OS — CID 107424029

IUPACN-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)Nc2nc3ccccc3s2)CCNC1
InChIInChI=1S/C14H18N4OS/c1-14(6-7-15-9-14)16-8-12(19)18-13-17-10-4-2-3-5-11(10)20-13/h2-5,15-16H,6-9H2,1H3,(H,17,18,19)
InChIKeyREOPUEQIEQWUNG-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.58
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (PubChem CID 107424029) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
PubChem CID107424029
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)Nc2nc3ccccc3s2)CCNC1
InChIInChI=1S/C14H18N4OS/c1-14(6-7-15-9-14)16-8-12(19)18-13-17-10-4-2-3-5-11(10)20-13/h2-5,15-16H,6-9H2,1H3,(H,17,18,19)
InChIKeyREOPUEQIEQWUNG-UHFFFAOYSA-N
XLogP1.58
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 17464140
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 115452221
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (CID 107424029) is N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is CC1(NCC(=O)Nc2nc3ccccc3s2)CCNC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is REOPUEQIEQWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(6-7-15-9-14)16-8-12(19)18-13-17-10-4-2-3-5-11(10)20-13/h2-5,15-16H,6-9H2,1H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 107424029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).