2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

C15H15N3O2S — CID 65349536

IUPAC2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H15N3O2S/c1-2-18(9-11-4-3-7-20-11)14(19)10-5-6-12-13(8-10)21-15(16)17-12/h3-8H,2,9H2,1H3,(H2,16,17)
InChIKeyJSOAPSSNHLRBKJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.13
Rot. Bonds4

About 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349536) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349536
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H15N3O2S/c1-2-18(9-11-4-3-7-20-11)14(19)10-5-6-12-13(8-10)21-15(16)17-12/h3-8H,2,9H2,1H3,(H2,16,17)
InChIKeyJSOAPSSNHLRBKJ-UHFFFAOYSA-N
XLogP3.13
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
2-[(2-chloro-1,3-benzothiazole-6-carbonyl)-(furan-2-ylmethyl)amino]acetic acid
CID 100787872
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
CID 107024394
3-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525222
4-amino-N-ethyl-2-[ethyl(methyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663180
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81093317
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 65349536) is 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide is CCN(Cc1ccco1)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is JSOAPSSNHLRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-18(9-11-4-3-7-20-11)14(19)10-5-6-12-13(8-10)21-15(16)17-12/h3-8H,2,9H2,1H3,(H2,16,17).
What are the key properties of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).