N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide

C14H20N2OSSi — CID 53439401

IUPACN-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
SMILESC[Si](C)(C)CCCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H20N2OSSi/c1-19(2,3)10-6-9-13(17)16-14-15-11-7-4-5-8-12(11)18-14/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyFACHEPVVRSSCBS-UHFFFAOYSA-N
MW292.48 g/mol
LogP4.35
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide

N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide (PubChem CID 53439401) has the molecular formula C14H20N2OSSi and a molecular weight of 292.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
PubChem CID53439401
Molecular FormulaC14H20N2OSSi
Molecular Weight292.48 g/mol
Exact Mass292.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
SMILESC[Si](C)(C)CCCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H20N2OSSi/c1-19(2,3)10-6-9-13(17)16-14-15-11-7-4-5-8-12(11)18-14/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyFACHEPVVRSSCBS-UHFFFAOYSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 2063722
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N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
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CID 18134779
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8571614
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
prop-2-enyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
CID 2304671

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide (CID 53439401) is N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide is C[Si](C)(C)CCCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide?
The InChIKey is FACHEPVVRSSCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OSSi/c1-19(2,3)10-6-9-13(17)16-14-15-11-7-4-5-8-12(11)18-14/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide?
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide has a molecular weight of 292.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide is sourced from PubChem (CID 53439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).