methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate

C13H13ClN2O2S — CID 83165921

IUPACmethyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cnccc2Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-18-13(17)6-9-2-3-10(19-9)7-16-12-8-15-5-4-11(12)14/h2-5,8,16H,6-7H2,1H3
InChIKeyGTRZSZDZLNKLSK-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.12
Rot. Bonds5

About methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate (PubChem CID 83165921) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
PubChem CID83165921
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Namemethyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cnccc2Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-18-13(17)6-9-2-3-10(19-9)7-16-12-8-15-5-4-11(12)14/h2-5,8,16H,6-7H2,1H3
InChIKeyGTRZSZDZLNKLSK-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887614
methyl 2-[5-[[(2-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 82894273
methyl 2-[5-[(3,4-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82894984
methyl 2-[5-[(2-chloro-4-iodoanilino)methyl]thiophen-2-yl]acetate
CID 82894492
methyl 2-[5-[(4-chloro-2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894934
methyl 2-[5-[(4-bromo-2,6-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82886699
methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705
methyl 2-[5-[(1,3-thiazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 104588985
methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82886056
methyl 2-[5-[[(6-fluoro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 103949613
methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate
CID 82887111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate (CID 83165921) is methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNc2cnccc2Cl)s1.
What is the InChIKey of methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate?
The InChIKey is GTRZSZDZLNKLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-18-13(17)6-9-2-3-10(19-9)7-16-12-8-15-5-4-11(12)14/h2-5,8,16H,6-7H2,1H3.
What are the key properties of methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate has a molecular weight of 296.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 83165921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).