ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate

C15H12ClN3O2S — CID 108773602

IUPACethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C15H12ClN3O2S/c1-2-21-14(20)9-5-6-17-13(7-9)19-15-18-11-4-3-10(16)8-12(11)22-15/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyWCEWXEUELUVRPS-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.26
Rot. Bonds4

About ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate

ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate (PubChem CID 108773602) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
PubChem CID108773602
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Nameethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C15H12ClN3O2S/c1-2-21-14(20)9-5-6-17-13(7-9)19-15-18-11-4-3-10(16)8-12(11)22-15/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyWCEWXEUELUVRPS-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzimidazole-5-carboxylate
CID 86656917
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
ethyl 2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazole-6-carboxylate
CID 108776103
ethyl 2-[(4-chlorophenyl)methylcarbamoylamino]-1,3-benzothiazole-6-carboxylate
CID 121080688
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
CID 108773601
ethyl 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 108739239
2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
CID 29277301
4-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 114052440
ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755506
ethyl 2-[(6-phenylpyridazin-3-yl)amino]-1,3-benzothiazole-6-carboxylate
CID 108776058
ethyl 2-(2-ethylbutanoylamino)-1,3-benzothiazole-6-carboxylate
CID 108739160
ethyl 5-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-phenylpyrazole-4-carboxylate
CID 108775848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate (CID 108773602) is ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate?
The InChIKey is WCEWXEUELUVRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-2-21-14(20)9-5-6-17-13(7-9)19-15-18-11-4-3-10(16)8-12(11)22-15/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate?
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate has a molecular weight of 333.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108773602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).