N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C18H16N2O3S2 — CID 17486818

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C18H16N2O3S2/c1-11-16(25-18(20-11)12-6-7-24-10-12)17(21)19-8-13-9-22-14-4-2-3-5-15(14)23-13/h2-7,10,13H,8-9H2,1H3,(H,19,21)
InChIKeyLARLTJXFLVMSOC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.75
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 17486818) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID17486818
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C18H16N2O3S2/c1-11-16(25-18(20-11)12-6-7-24-10-12)17(21)19-8-13-9-22-14-4-2-3-5-15(14)23-13/h2-7,10,13H,8-9H2,1H3,(H,19,21)
InChIKeyLARLTJXFLVMSOC-UHFFFAOYSA-N
XLogP3.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388170
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 98623177
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570944
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 95147847
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 3242769
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8533303
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237481
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 56739079
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 17486818) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LARLTJXFLVMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-11-16(25-18(20-11)12-6-7-24-10-12)17(21)19-8-13-9-22-14-4-2-3-5-15(14)23-13/h2-7,10,13H,8-9H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17486818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).