4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide

C19H18ClN3O4S2 — CID 24590822

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3cc(C)sc3C)cs2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H18ClN3O4S2/c1-9-4-12(10(2)29-9)14-8-28-19(22-14)23-18(25)11-5-13(20)17(15(6-11)26-3)27-7-16(21)24/h4-6,8H,7H2,1-3H3,(H2,21,24)(H,22,23,25)
InChIKeyRUIJTFQJVNEQIV-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.27
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide (PubChem CID 24590822) has the molecular formula C19H18ClN3O4S2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide
PubChem CID24590822
Molecular FormulaC19H18ClN3O4S2
Molecular Weight451.96 g/mol
Exact Mass451.04
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3cc(C)sc3C)cs2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H18ClN3O4S2/c1-9-4-12(10(2)29-9)14-8-28-19(22-14)23-18(25)11-5-13(20)17(15(6-11)26-3)27-7-16(21)24/h4-6,8H,7H2,1-3H3,(H2,21,24)(H,22,23,25)
InChIKeyRUIJTFQJVNEQIV-UHFFFAOYSA-N
XLogP4.27
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27446268
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24597199
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 119139147
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 55895428
4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 24590815
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 24592005
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 17449915
4-[2-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55527956
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide (CID 24590822) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide is COc1cc(C(=O)Nc2nc(-c3cc(C)sc3C)cs2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide?
The InChIKey is RUIJTFQJVNEQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S2/c1-9-4-12(10(2)29-9)14-8-28-19(22-14)23-18(25)11-5-13(20)17(15(6-11)26-3)27-7-16(21)24/h4-6,8H,7H2,1-3H3,(H2,21,24)(H,22,23,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide has a molecular weight of 451.96 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 24590822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).