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

C18H15N3O3S — CID 30860144

IUPAC2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H15N3O3S/c22-17(19-13-6-7-15-16(10-13)24-9-8-23-15)14-11-25-18(21-14)20-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,22)(H,20,21)
InChIKeyVTJBQHGLGWDEOP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.91
Rot. Bonds4

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

2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 30860144) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID30860144
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H15N3O3S/c22-17(19-13-6-7-15-16(10-13)24-9-8-23-15)14-11-25-18(21-14)20-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,22)(H,20,21)
InChIKeyVTJBQHGLGWDEOP-UHFFFAOYSA-N
XLogP3.91
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 56944680
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818432
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71818577
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2222346
2-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 3189490
N-Cyclopentylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3210657
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 9551891
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3591625
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4801368
N-Cyclohexylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3212297
2-((4-(difluoromethoxy)phenyl)amino)-N-(3,4-dimethoxyphenyl)thiazole-4-carboxamide
CID 30860203

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide (CID 30860144) is 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VTJBQHGLGWDEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-17(19-13-6-7-15-16(10-13)24-9-8-23-15)14-11-25-18(21-14)20-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).