N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide

C18H19N3O2S3 — CID 55372926

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1C
InChIInChI=1S/C18H19N3O2S3/c1-4-14-10(2)7-16(26-14)17(23)21-18-20-13(9-24-18)15-6-5-12(25-15)8-19-11(3)22/h5-7,9H,4,8H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyFNHFSVRTGSHWJY-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.69
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 55372926) has the molecular formula C18H19N3O2S3 and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID55372926
Molecular FormulaC18H19N3O2S3
Molecular Weight405.57 g/mol
Exact Mass405.06
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1C
InChIInChI=1S/C18H19N3O2S3/c1-4-14-10(2)7-16(26-14)17(23)21-18-20-13(9-24-18)15-6-5-12(25-15)8-19-11(3)22/h5-7,9H,4,8H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyFNHFSVRTGSHWJY-UHFFFAOYSA-N
XLogP4.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-bromo-5-fluorobenzamide
CID 55756304
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55460998
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 67849968
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
CID 55373062
methyl 6-[[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30749165
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide
CID 33002723
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 55668720
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(N-methylanilino)benzamide
CID 55756263
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 18139536
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 55372945
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55520765
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27287507

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 55372926) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1C.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is FNHFSVRTGSHWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S3/c1-4-14-10(2)7-16(26-14)17(23)21-18-20-13(9-24-18)15-6-5-12(25-15)8-19-11(3)22/h5-7,9H,4,8H2,1-3H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 405.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 55372926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).