2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide

C14H13N3O2S — CID 81399692

IUPAC2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(N)sc2c1)c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-8(11-3-2-6-19-11)16-13(18)9-4-5-10-12(7-9)20-14(15)17-10/h2-8H,1H3,(H2,15,17)(H,16,18)/t8-/m1/s1
InChIKeyCFGRAMOFJJQJRC-MRVPVSSYSA-N
MW287.34 g/mol
LogP2.96
Rot. Bonds3

About 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 81399692) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID81399692
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(N)sc2c1)c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-8(11-3-2-6-19-11)16-13(18)9-4-5-10-12(7-9)20-14(15)17-10/h2-8H,1H3,(H2,15,17)(H,16,18)/t8-/m1/s1
InChIKeyCFGRAMOFJJQJRC-MRVPVSSYSA-N
XLogP2.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 81399692) is 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide is C[C@@H](NC(=O)c1ccc2nc(N)sc2c1)c1ccco1.
What is the InChIKey of 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is CFGRAMOFJJQJRC-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8(11-3-2-6-19-11)16-13(18)9-4-5-10-12(7-9)20-14(15)17-10/h2-8H,1H3,(H2,15,17)(H,16,18)/t8-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 81399692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).