N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide

C11H12N2O2S — CID 107801616

IUPACN-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H12N2O2S/c14-5-1-2-11(15)13-8-3-4-9-10(6-8)16-7-12-9/h3-4,6-7,14H,1-2,5H2,(H,13,15)
InChIKeyPTZSRXZFXNZACP-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.01
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide

N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide (PubChem CID 107801616) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
PubChem CID107801616
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H12N2O2S/c14-5-1-2-11(15)13-8-3-4-9-10(6-8)16-7-12-9/h3-4,6-7,14H,1-2,5H2,(H,13,15)
InChIKeyPTZSRXZFXNZACP-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
CID 103868012
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41085216
N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
CID 91356894
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
(E)-4-(1,3-benzothiazol-6-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 107805868
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide (CID 107801616) is N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide is O=C(CCCO)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide?
The InChIKey is PTZSRXZFXNZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-5-1-2-11(15)13-8-3-4-9-10(6-8)16-7-12-9/h3-4,6-7,14H,1-2,5H2,(H,13,15).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide?
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide has a molecular weight of 236.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide is sourced from PubChem (CID 107801616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).