1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

C17H19N3O3S — CID 119264941

IUPAC1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCCC1
InChIInChI=1S/C17H19N3O3S/c18-17(5-1-2-6-17)15(21)20-16-19-12(10-24-16)11-3-4-13-14(9-11)23-8-7-22-13/h3-4,9-10H,1-2,5-8,18H2,(H,19,20,21)
InChIKeyAJBBNELKNTYBHB-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.79
Rot. Bonds3

About 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 119264941) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID119264941
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCCC1
InChIInChI=1S/C17H19N3O3S/c18-17(5-1-2-6-17)15(21)20-16-19-12(10-24-16)11-3-4-13-14(9-11)23-8-7-22-13/h3-4,9-10H,1-2,5-8,18H2,(H,19,20,21)
InChIKeyAJBBNELKNTYBHB-UHFFFAOYSA-N
XLogP2.79
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (CID 119264941) is 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is NC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCCC1.
What is the InChIKey of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is AJBBNELKNTYBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-17(5-1-2-6-17)15(21)20-16-19-12(10-24-16)11-3-4-13-14(9-11)23-8-7-22-13/h3-4,9-10H,1-2,5-8,18H2,(H,19,20,21).
What are the key properties of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119264941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).