N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide

C18H18N4O3S — CID 53178320

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCCc1csc(-c2cn(CC(=O)NCc3ccc4c(c3)OCO4)cn2)n1
InChIInChI=1S/C18H18N4O3S/c1-2-13-9-26-18(21-13)14-7-22(10-20-14)8-17(23)19-6-12-3-4-15-16(5-12)25-11-24-15/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,23)
InChIKeyXRQDJIHZFUJGQT-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.61
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (PubChem CID 53178320) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
PubChem CID53178320
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCCc1csc(-c2cn(CC(=O)NCc3ccc4c(c3)OCO4)cn2)n1
InChIInChI=1S/C18H18N4O3S/c1-2-13-9-26-18(21-13)14-7-22(10-20-14)8-17(23)19-6-12-3-4-15-16(5-12)25-11-24-15/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,23)
InChIKeyXRQDJIHZFUJGQT-UHFFFAOYSA-N
XLogP2.61
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (CID 53178320) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is CCc1csc(-c2cn(CC(=O)NCc3ccc4c(c3)OCO4)cn2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The InChIKey is XRQDJIHZFUJGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-2-13-9-26-18(21-13)14-7-22(10-20-14)8-17(23)19-6-12-3-4-15-16(5-12)25-11-24-15/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).