2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

C18H22N4OS2 — CID 110221934

IUPAC2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCc1csc(C(Cc2ccsc2)NC(=O)C(C)Cn2ccnc2C)n1
InChIInChI=1S/C18H22N4OS2/c1-12(9-22-6-5-19-14(22)3)17(23)21-16(8-15-4-7-24-11-15)18-20-13(2)10-25-18/h4-7,10-12,16H,8-9H2,1-3H3,(H,21,23)
InChIKeyKPCSDJINZPLHGE-UHFFFAOYSA-N
MW374.54 g/mol
LogP3.75
Rot. Bonds7

About 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (PubChem CID 110221934) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
PubChem CID110221934
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC Name2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCc1csc(C(Cc2ccsc2)NC(=O)C(C)Cn2ccnc2C)n1
InChIInChI=1S/C18H22N4OS2/c1-12(9-22-6-5-19-14(22)3)17(23)21-16(8-15-4-7-24-11-15)18-20-13(2)10-25-18/h4-7,10-12,16H,8-9H2,1-3H3,(H,21,23)
InChIKeyKPCSDJINZPLHGE-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (CID 110221934) is 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is Cc1csc(C(Cc2ccsc2)NC(=O)C(C)Cn2ccnc2C)n1.
What is the InChIKey of 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is KPCSDJINZPLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-12(9-22-6-5-19-14(22)3)17(23)21-16(8-15-4-7-24-11-15)18-20-13(2)10-25-18/h4-7,10-12,16H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 374.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylimidazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 110221934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).