N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide

C17H20N2O3S — CID 48579382

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(CC)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C17H20N2O3S/c1-3-12(19-17(20)15-10-18-16(4-2)23-15)11-5-6-13-14(9-11)22-8-7-21-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyMCSIHVSPAHBMER-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48579382) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48579382
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(CC)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C17H20N2O3S/c1-3-12(19-17(20)15-10-18-16(4-2)23-15)11-5-6-13-14(9-11)22-8-7-21-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyMCSIHVSPAHBMER-UHFFFAOYSA-N
XLogP3.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
4-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 129467448
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119182132
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
CID 60538347
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 102554840
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
CID 119299788
5-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1H-pyrrole-2-carboxamide
CID 97239761
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120789179
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60982911
4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
CID 55909030
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 48579382) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC(CC)c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MCSIHVSPAHBMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-12(19-17(20)15-10-18-16(4-2)23-15)11-5-6-13-14(9-11)22-8-7-21-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48579382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).