ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate

C13H16N2O5S — CID 3510327

IUPACethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2cc(OC)c(OC)c(OC)c2s1
InChIInChI=1S/C13H16N2O5S/c1-5-20-13(16)15-12-14-7-6-8(17-2)9(18-3)10(19-4)11(7)21-12/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyFUJBDYFCRBDDRE-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.89
Rot. Bonds5

About ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate

ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate (PubChem CID 3510327) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate
PubChem CID3510327
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Nameethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2cc(OC)c(OC)c(OC)c2s1
InChIInChI=1S/C13H16N2O5S/c1-5-20-13(16)15-12-14-7-6-8(17-2)9(18-3)10(19-4)11(7)21-12/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyFUJBDYFCRBDDRE-UHFFFAOYSA-N
XLogP2.89
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide
CID 622705
5,6,7-trimethoxy-2-propyl-1,3-benzothiazole
CID 174409284
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
5-methoxy-2-(prop-2-enoxycarbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 167718002
ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate
CID 59286703
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4817060
1-(7-bromo-6-methoxy-5-pyrimidin-5-yl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 141332443
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 118737482
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 24600021
ethyl 2-[[6,7-dimethoxy-4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 10144129

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate (CID 3510327) is ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate is CCOC(=O)Nc1nc2cc(OC)c(OC)c(OC)c2s1.
What is the InChIKey of ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is FUJBDYFCRBDDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-5-20-13(16)15-12-14-7-6-8(17-2)9(18-3)10(19-4)11(7)21-12/h6H,5H2,1-4H3,(H,14,15,16).
What are the key properties of ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate?
ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 312.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 3510327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).