N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide

C18H15Cl2N4O3S+ — CID 143640223

IUPACN-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
SMILESNC(=O)c1cc(Oc2cccc(CCNC(=O)c3nsc(Cl)c3Cl)c2)cc[nH+]1
InChIInChI=1S/C18H14Cl2N4O3S/c19-14-15(24-28-16(14)20)18(26)23-6-4-10-2-1-3-11(8-10)27-12-5-7-22-13(9-12)17(21)25/h1-3,5,7-9H,4,6H2,(H2,21,25)(H,23,26)/p+1
InChIKeyYEBGIXXYWSVJTC-UHFFFAOYSA-O
MW438.32 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide

N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide (PubChem CID 143640223) has the molecular formula C18H15Cl2N4O3S+ and a molecular weight of 438.32 g/mol. Its IUPAC name is N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
PubChem CID143640223
Molecular FormulaC18H15Cl2N4O3S+
Molecular Weight438.32 g/mol
Exact Mass437.02
IUPAC NameN-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
SMILESNC(=O)c1cc(Oc2cccc(CCNC(=O)c3nsc(Cl)c3Cl)c2)cc[nH+]1
InChIInChI=1S/C18H14Cl2N4O3S/c19-14-15(24-28-16(14)20)18(26)23-6-4-10-2-1-3-11(8-10)27-12-5-7-22-13(9-12)17(21)25/h1-3,5,7-9H,4,6H2,(H2,21,25)(H,23,26)/p+1
InChIKeyYEBGIXXYWSVJTC-UHFFFAOYSA-O
XLogP3.13
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide
CID 143640178
4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545147
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 143640230
4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
[1-(2-fluorophenyl)-2-oxo-2-(2-phenylethylamino)ethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220402
4-[3-[2-[(5-methylthiophene-2-carbonyl)amino]ethyl]cyclohexa-1,3,4,5-tetraen-1-yl]oxypyridin-1-ium-2-carboxamide
CID 176525540
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
N-[2-[3-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]ethyl]-1H-indole-5-carboxamide
CID 143640179
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
2-(3-chlorophenyl)ethylurea
CID 127513466

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide (CID 143640223) is N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide is NC(=O)c1cc(Oc2cccc(CCNC(=O)c3nsc(Cl)c3Cl)c2)cc[nH+]1.
What is the InChIKey of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide?
The InChIKey is YEBGIXXYWSVJTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14Cl2N4O3S/c19-14-15(24-28-16(14)20)18(26)23-6-4-10-2-1-3-11(8-10)27-12-5-7-22-13(9-12)17(21)25/h1-3,5,7-9H,4,6H2,(H2,21,25)(H,23,26)/p+1.
What are the key properties of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide?
N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide has a molecular weight of 438.32 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 143640223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).