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

C13H17N3O3S — CID 60686532

IUPACN-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CCO)Nc1nc2ccccc2s1
InChIInChI=1S/C13H17N3O3S/c17-7-5-16(6-8-18)9-12(19)15-13-14-10-3-1-2-4-11(10)20-13/h1-4,17-18H,5-9H2,(H,14,15,19)
InChIKeyBVVOXJMWLRAQBY-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.52
Rot. Bonds7

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

N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide (PubChem CID 60686532) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
PubChem CID60686532
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CCO)Nc1nc2ccccc2s1
InChIInChI=1S/C13H17N3O3S/c17-7-5-16(6-8-18)9-12(19)15-13-14-10-3-1-2-4-11(10)20-13/h1-4,17-18H,5-9H2,(H,14,15,19)
InChIKeyBVVOXJMWLRAQBY-UHFFFAOYSA-N
XLogP0.52
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485501
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691529
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
3-(1,3-benzothiazol-2-yl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119287
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 78821067

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide (CID 60686532) is N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide is O=C(CN(CCO)CCO)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The InChIKey is BVVOXJMWLRAQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-7-5-16(6-8-18)9-12(19)15-13-14-10-3-1-2-4-11(10)20-13/h1-4,17-18H,5-9H2,(H,14,15,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 60686532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).