potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate

C12H12KN3O4S — CID 46841924

IUPACpotassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate
SMILESCCOc1ccc2nc(NC(=O)NCC(=O)[O-])sc2c1.[K+]
InChIInChI=1S/C12H13N3O4S.K/c1-2-19-7-3-4-8-9(5-7)20-12(14-8)15-11(18)13-6-10(16)17;/h3-5H,2,6H2,1H3,(H,16,17)(H2,13,14,15,18);/q;+1/p-1
InChIKeySNQGZWCAUVPNQY-UHFFFAOYSA-M
MW333.41 g/mol
LogP-2.43
Rot. Bonds5

About potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate

potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate (PubChem CID 46841924) has the molecular formula C12H12KN3O4S and a molecular weight of 333.41 g/mol. Its IUPAC name is potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate.

Molecular Properties

Compound Namepotassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate
PubChem CID46841924
Molecular FormulaC12H12KN3O4S
Molecular Weight333.41 g/mol
Exact Mass333.02
IUPAC Namepotassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate
SMILESCCOc1ccc2nc(NC(=O)NCC(=O)[O-])sc2c1.[K+]
InChIInChI=1S/C12H13N3O4S.K/c1-2-19-7-3-4-8-9(5-7)20-12(14-8)15-11(18)13-6-10(16)17;/h3-5H,2,6H2,1H3,(H,16,17)(H2,13,14,15,18);/q;+1/p-1
InChIKeySNQGZWCAUVPNQY-UHFFFAOYSA-M
XLogP-2.43
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
1-(4-chlorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
CID 930081
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722
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
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79518268
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387

Frequently Asked Questions

What is the IUPAC name of potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate?
The IUPAC name of potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate (CID 46841924) is potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate.
What is the SMILES notation for potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate?
The canonical SMILES for potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate is CCOc1ccc2nc(NC(=O)NCC(=O)[O-])sc2c1.[K+].
What is the InChIKey of potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate?
The InChIKey is SNQGZWCAUVPNQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13N3O4S.K/c1-2-19-7-3-4-8-9(5-7)20-12(14-8)15-11(18)13-6-10(16)17;/h3-5H,2,6H2,1H3,(H,16,17)(H2,13,14,15,18);/q;+1/p-1.
What are the key properties of potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate?
potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate has a molecular weight of 333.41 g/mol, XLogP of -2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate is sourced from PubChem (CID 46841924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).