N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide

C14H16ClN3O3S — CID 168579680

IUPACN-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C14H16ClN3O3S/c1-20-8-13(19)18-11-4-3-9(21-2)5-12(11)16-6-10-7-17-14(15)22-10/h3-5,7,16H,6,8H2,1-2H3,(H,18,19)
InChIKeyBEVDXMPFNCSFOJ-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.00
Rot. Bonds7

About N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide

N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide (PubChem CID 168579680) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide
PubChem CID168579680
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC NameN-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C14H16ClN3O3S/c1-20-8-13(19)18-11-4-3-9(21-2)5-12(11)16-6-10-7-17-14(15)22-10/h3-5,7,16H,6,8H2,1-2H3,(H,18,19)
InChIKeyBEVDXMPFNCSFOJ-UHFFFAOYSA-N
XLogP3.00
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168637210
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 168520794
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
CID 168581737
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide
CID 168583889
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-iodo-2-methoxybenzoic acid
CID 168583321
4-(benzylamino)-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579723
2-(2,4-difluorophenyl)-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131889857
1-[5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]ethanone
CID 168582868
methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887614
N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
CID 169338288

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide (CID 168579680) is N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OC)cc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide?
The InChIKey is BEVDXMPFNCSFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-20-8-13(19)18-11-4-3-9(21-2)5-12(11)16-6-10-7-17-14(15)22-10/h3-5,7,16H,6,8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide?
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide has a molecular weight of 341.82 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide is sourced from PubChem (CID 168579680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).