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

C12H10N2O3S — CID 673339

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1csc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H10N2O3S/c1-7-5-18-12(13-7)14-11(15)8-2-3-9-10(4-8)17-6-16-9/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeySKPVIQAYRQSKQL-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.43
Rot. Bonds2

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

N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 673339) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID673339
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1csc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H10N2O3S/c1-7-5-18-12(13-7)14-11(15)8-2-3-9-10(4-8)17-6-16-9/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeySKPVIQAYRQSKQL-UHFFFAOYSA-N
XLogP2.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 669593
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 803577
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-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
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
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
Ethyl 2-(3,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CID 1359240

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CID 673339) is N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide is Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is SKPVIQAYRQSKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-5-18-12(13-7)14-11(15)8-2-3-9-10(4-8)17-6-16-9/h2-5H,6H2,1H3,(H,13,14,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 673339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).