N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide

C12H14N2O2S — CID 110488503

IUPACN-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESCCC(CO)NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C12H14N2O2S/c1-2-8(7-15)13-11(16)12-14-9-5-3-4-6-10(9)17-12/h3-6,8,15H,2,7H2,1H3,(H,13,16)
InChIKeyWDNZKXMLOYTYOQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.80
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide

N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 110488503) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID110488503
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESCCC(CO)NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C12H14N2O2S/c1-2-8(7-15)13-11(16)12-14-9-5-3-4-6-10(9)17-12/h3-6,8,15H,2,7H2,1H3,(H,13,16)
InChIKeyWDNZKXMLOYTYOQ-UHFFFAOYSA-N
XLogP1.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
1-(1,3-benzothiazol-2-yl)-3-ethylpentan-1-one
CID 43166671
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-pentan-3-ylpropanamide
CID 8849998
N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 171359773

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide (CID 110488503) is N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide is CCC(CO)NC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is WDNZKXMLOYTYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-8(7-15)13-11(16)12-14-9-5-3-4-6-10(9)17-12/h3-6,8,15H,2,7H2,1H3,(H,13,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide?
N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 110488503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).