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

C14H19N3O2S — CID 60691529

IUPACN-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H19N3O2S/c1-10(2)17(7-8-18)9-13(19)16-14-15-11-5-3-4-6-12(11)20-14/h3-6,10,18H,7-9H2,1-2H3,(H,15,16,19)
InChIKeyRZZYMSOUVPIZPO-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.94
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (PubChem CID 60691529) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
PubChem CID60691529
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H19N3O2S/c1-10(2)17(7-8-18)9-13(19)16-14-15-11-5-3-4-6-12(11)20-14/h3-6,10,18H,7-9H2,1-2H3,(H,15,16,19)
InChIKeyRZZYMSOUVPIZPO-UHFFFAOYSA-N
XLogP1.94
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
N-(1,3-benzothiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485501
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
3-(1,3-benzothiazol-2-yl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119287
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (CID 60691529) is N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide is CC(C)N(CCO)CC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The InChIKey is RZZYMSOUVPIZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)17(7-8-18)9-13(19)16-14-15-11-5-3-4-6-12(11)20-14/h3-6,10,18H,7-9H2,1-2H3,(H,15,16,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 60691529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).