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

C17H14N2O3S2 — CID 2821635

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C17H14N2O3S2/c20-16(18-8-11-4-3-7-23-11)12-10-24-17(19-12)15-9-21-13-5-1-2-6-14(13)22-15/h1-7,10,15H,8-9H2,(H,18,20)
InChIKeyCHQRWZUEJYAXBJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.65
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 2821635) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID2821635
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C17H14N2O3S2/c20-16(18-8-11-4-3-7-23-11)12-10-24-17(19-12)15-9-21-13-5-1-2-6-14(13)22-15/h1-7,10,15H,8-9H2,(H,18,20)
InChIKeyCHQRWZUEJYAXBJ-UHFFFAOYSA-N
XLogP3.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl](thiophen-2-ylsulfanyl)methanone
CID 2821595
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 2821636
4-{[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 2821632
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(3-sulfanylpropyl)thiazole-4-carboxamide
CID 493396
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 2821634
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 2813321
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 11220811
S-(thiophen-2-ylmethyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carbothioate
CID 2821608
2-[(2-Methoxyphenoxy)methyl]-4-(pyrrolidine-1-carbonyl)-1,3-thiazole
CID 24712621
[2-[(2-Methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 24712991
[2-[(2-Methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 24712993
1-{2-[(2-Methoxyphenoxy)methyl]-1,3-thiazole-4-carbonyl}-4-methylpiperidine
CID 24712994

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 2821635) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccs1)c1csc(C2COc3ccccc3O2)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CHQRWZUEJYAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-16(18-8-11-4-3-7-23-11)12-10-24-17(19-12)15-9-21-13-5-1-2-6-14(13)22-15/h1-7,10,15H,8-9H2,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2821635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).