N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C20H20N4O2S2 — CID 55702410

IUPACN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cccc(N4CCNC4=O)c3)s2)cs1
InChIInChI=1S/C20H20N4O2S2/c1-13-23-17(12-27-13)18-6-5-16(28-18)7-8-21-19(25)14-3-2-4-15(11-14)24-10-9-22-20(24)26/h2-6,11-12H,7-10H2,1H3,(H,21,25)(H,22,26)
InChIKeyNBVSSFPTZCAYLF-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.68
Rot. Bonds6

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 55702410) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID55702410
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cccc(N4CCNC4=O)c3)s2)cs1
InChIInChI=1S/C20H20N4O2S2/c1-13-23-17(12-27-13)18-6-5-16(28-18)7-8-21-19(25)14-3-2-4-15(11-14)24-10-9-22-20(24)26/h2-6,11-12H,7-10H2,1H3,(H,21,25)(H,22,26)
InChIKeyNBVSSFPTZCAYLF-UHFFFAOYSA-N
XLogP3.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 55702410) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1nc(-c2ccc(CCNC(=O)c3cccc(N4CCNC4=O)c3)s2)cs1.
What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is NBVSSFPTZCAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-13-23-17(12-27-13)18-6-5-16(28-18)7-8-21-19(25)14-3-2-4-15(11-14)24-10-9-22-20(24)26/h2-6,11-12H,7-10H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 412.54 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55702410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).