N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide

C19H15ClN2O3S — CID 2329166

IUPACN-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15ClN2O3S/c1-11-17(9-12-2-7-15-16(8-12)25-10-24-15)26-19(21-11)22-18(23)13-3-5-14(20)6-4-13/h2-8H,9-10H2,1H3,(H,21,22,23)
InChIKeyWOLZFGWIQVCIDK-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.68
Rot. Bonds4

About N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide

N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide (PubChem CID 2329166) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide
PubChem CID2329166
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15ClN2O3S/c1-11-17(9-12-2-7-15-16(8-12)25-10-24-15)26-19(21-11)22-18(23)13-3-5-14(20)6-4-13/h2-8H,9-10H2,1H3,(H,21,22,23)
InChIKeyWOLZFGWIQVCIDK-UHFFFAOYSA-N
XLogP4.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide (CID 2329166) is N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide is Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
The InChIKey is WOLZFGWIQVCIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-11-17(9-12-2-7-15-16(8-12)25-10-24-15)26-19(21-11)22-18(23)13-3-5-14(20)6-4-13/h2-8H,9-10H2,1H3,(H,21,22,23).
What are the key properties of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide has a molecular weight of 386.86 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 2329166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).