N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H12N2O3S2 — CID 2813321

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H12N2O3S2/c19-15(11-9-23-16(18-11)14-2-1-7-22-14)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-9H,5-6H2,(H,17,19)
InChIKeySBNJUYSMHHWRNF-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.90
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 2813321) has the molecular formula C16H12N2O3S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID2813321
Molecular FormulaC16H12N2O3S2
Molecular Weight344.42 g/mol
Exact Mass344.03
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H12N2O3S2/c19-15(11-9-23-16(18-11)14-2-1-7-22-14)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-9H,5-6H2,(H,17,19)
InChIKeySBNJUYSMHHWRNF-UHFFFAOYSA-N
XLogP3.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 654316
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CID 2222346
N-(3,4-dimethoxyphenyl)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24818950
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3591625
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2815406
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4-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbutanamide
CID 17477779
2-((4-(difluoromethoxy)phenyl)amino)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thiazole-4-carboxamide
CID 30860211
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 2738839
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 2821635
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7222593
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-4-piperidinyl}propanamide
CID 25294137

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 2813321) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SBNJUYSMHHWRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S2/c19-15(11-9-23-16(18-11)14-2-1-7-22-14)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-9H,5-6H2,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.90, 3 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-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2813321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).