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

C19H16N2O3S — CID 2329165

IUPACN-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O3S/c1-12-17(10-13-7-8-15-16(9-13)24-11-23-15)25-19(20-12)21-18(22)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,20,21,22)
InChIKeyNMGKRCLVSYGIQL-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.02
Rot. Bonds4

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

N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 2329165) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID2329165
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O3S/c1-12-17(10-13-7-8-15-16(9-13)24-11-23-15)25-19(20-12)21-18(22)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,20,21,22)
InChIKeyNMGKRCLVSYGIQL-UHFFFAOYSA-N
XLogP4.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 803577
(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
3-(1,3-benzodioxol-5-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acrylamide
CID 741152
Ethyl {2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 784187
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acrylamide
CID 2166356
N-(5-benzyl-4-phenylthiazol-2-yl)-4-(4,5-diethoxy-2-methylphenyl)-4-oxobutanamide
CID 11856514
3-Benzo[1,3]dioxol-5-yl-N-benzothiazol-2-yl-acrylamide
CID 821003

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide (CID 2329165) is N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is NMGKRCLVSYGIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12-17(10-13-7-8-15-16(9-13)24-11-23-15)25-19(20-12)21-18(22)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,20,21,22).
What are the key properties of N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 352.42 g/mol, XLogP of 4.02, 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]benzamide is sourced from PubChem (CID 2329165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).