3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide

C14H15Cl2N3O2S — CID 110397918

IUPAC3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCNc1nc(CCNC(=O)c2c(Cl)ccc(Cl)c2OC)cs1
InChIInChI=1S/C14H15Cl2N3O2S/c1-17-14-19-8(7-22-14)5-6-18-13(20)11-9(15)3-4-10(16)12(11)21-2/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIPUVELSVIUWAAF-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.47
Rot. Bonds6

About 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide

3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 110397918) has the molecular formula C14H15Cl2N3O2S and a molecular weight of 360.27 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID110397918
Molecular FormulaC14H15Cl2N3O2S
Molecular Weight360.27 g/mol
Exact Mass359.03
IUPAC Name3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCNc1nc(CCNC(=O)c2c(Cl)ccc(Cl)c2OC)cs1
InChIInChI=1S/C14H15Cl2N3O2S/c1-17-14-19-8(7-22-14)5-6-18-13(20)11-9(15)3-4-10(16)12(11)21-2/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIPUVELSVIUWAAF-UHFFFAOYSA-N
XLogP3.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
3,6-dichloro-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443046
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
CID 110397933
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide
CID 110443047
3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
CID 108573308
3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573757

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide (CID 110397918) is 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide is CNc1nc(CCNC(=O)c2c(Cl)ccc(Cl)c2OC)cs1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is IPUVELSVIUWAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S/c1-17-14-19-8(7-22-14)5-6-18-13(20)11-9(15)3-4-10(16)12(11)21-2/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 360.27 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 110397918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).