N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C18H22N2O3S — CID 42793595

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2ccc3c(c2)OCO3)CC(C)C)s1
InChIInChI=1S/C18H22N2O3S/c1-11(2)8-20(18(21)17-12(3)19-13(4)24-17)9-14-5-6-15-16(7-14)23-10-22-15/h5-7,11H,8-10H2,1-4H3
InChIKeyRAEMYPOOZQTZSF-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.79
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 42793595) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID42793595
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2ccc3c(c2)OCO3)CC(C)C)s1
InChIInChI=1S/C18H22N2O3S/c1-11(2)8-20(18(21)17-12(3)19-13(4)24-17)9-14-5-6-15-16(7-14)23-10-22-15/h5-7,11H,8-10H2,1-4H3
InChIKeyRAEMYPOOZQTZSF-UHFFFAOYSA-N
XLogP3.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 131947521
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55650103
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-(2-methylpropyl)acetamide
CID 39384116
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954905
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55414327
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 27863937
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954603
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-hydroxypropyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136772877
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 86978498
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084068

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 42793595) is N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(Cc2ccc3c(c2)OCO3)CC(C)C)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RAEMYPOOZQTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11(2)8-20(18(21)17-12(3)19-13(4)24-17)9-14-5-6-15-16(7-14)23-10-22-15/h5-7,11H,8-10H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42793595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).