N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide

C14H12N2O4S — CID 803577

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)nc1C
InChIInChI=1S/C14H12N2O4S/c1-7-12(8(2)17)21-14(15-7)16-13(18)9-3-4-10-11(5-9)20-6-19-10/h3-5H,6H2,1-2H3,(H,15,16,18)
InChIKeyZXAPOBJYCWUJLZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.64
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 803577) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID803577
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)nc1C
InChIInChI=1S/C14H12N2O4S/c1-7-12(8(2)17)21-14(15-7)16-13(18)9-3-4-10-11(5-9)20-6-19-10/h3-5H,6H2,1-2H3,(H,15,16,18)
InChIKeyZXAPOBJYCWUJLZ-UHFFFAOYSA-N
XLogP2.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
CID 2992172
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
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
[2-(Allylamino)-4-amino-1,3-thiazol-5-yl](1,3-benzodioxol-5-yl)methanone
CID 660775
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 870942
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 959479

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CID 803577) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide is CC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZXAPOBJYCWUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-7-12(8(2)17)21-14(15-7)16-13(18)9-3-4-10-11(5-9)20-6-19-10/h3-5H,6H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 803577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).