butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate

C14H18N2O3S — CID 108747722

IUPACbutyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H18N2O3S/c1-3-5-8-19-14(17)16-13-15-11-7-6-10(18-4-2)9-12(11)20-13/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyBFKWGEWPGPUNMW-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.04
Rot. Bonds6

About butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate

butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate (PubChem CID 108747722) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
PubChem CID108747722
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namebutyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H18N2O3S/c1-3-5-8-19-14(17)16-13-15-11-7-6-10(18-4-2)9-12(11)20-13/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyBFKWGEWPGPUNMW-UHFFFAOYSA-N
XLogP4.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(butoxycarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 108739192
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 17244734
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
(2S)-2-(carbamoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylpentanamide
CID 8883314
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
(2S)-2-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119672163

Frequently Asked Questions

What is the IUPAC name of butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate (CID 108747722) is butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate is CCCCOC(=O)Nc1nc2ccc(OCC)cc2s1.
What is the InChIKey of butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is BFKWGEWPGPUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-5-8-19-14(17)16-13-15-11-7-6-10(18-4-2)9-12(11)20-13/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17).
What are the key properties of butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate?
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 294.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 108747722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).