N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

C12H10N2O3S — CID 110863143

IUPACN-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C12H10N2O3S/c1-7-13-5-11(18-7)12(15)14-8-2-3-9-10(4-8)17-6-16-9/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUIENEEWVAGRHQQ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.43
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110863143) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110863143
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C12H10N2O3S/c1-7-13-5-11(18-7)12(15)14-8-2-3-9-10(4-8)17-6-16-9/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUIENEEWVAGRHQQ-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

5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348
N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
CID 47114542
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 117086746
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2582289
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 46345478
N-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71940524
N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
CID 96596349

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide (CID 110863143) is N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UIENEEWVAGRHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-13-5-11(18-7)12(15)14-8-2-3-9-10(4-8)17-6-16-9/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-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-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110863143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).