N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide

C18H17N3O3S — CID 23102404

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(N)n3)cc2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-15-8-5-12(9-16(15)24-2)17(22)20-13-6-3-11(4-7-13)14-10-25-18(19)21-14/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyYYUHHRGBAYSGMJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 23102404) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID23102404
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(N)n3)cc2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-15-8-5-12(9-16(15)24-2)17(22)20-13-6-3-11(4-7-13)14-10-25-18(19)21-14/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyYYUHHRGBAYSGMJ-UHFFFAOYSA-N
XLogP3.66
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 89145903
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 58930781
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 55414711
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide (CID 23102404) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3csc(N)n3)cc2)cc1OC.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is YYUHHRGBAYSGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-15-8-5-12(9-16(15)24-2)17(22)20-13-6-3-11(4-7-13)14-10-25-18(19)21-14/h3-10H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 355.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23102404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).