2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

C14H13N3O2S — CID 65349456

IUPAC2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3nc(N)sc3c2)o1
InChIInChI=1S/C14H13N3O2S/c1-8-2-4-10(19-8)7-16-13(18)9-3-5-11-12(6-9)20-14(15)17-11/h2-6H,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyKCSUVWILDSFBEI-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 65349456) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID65349456
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3nc(N)sc3c2)o1
InChIInChI=1S/C14H13N3O2S/c1-8-2-4-10(19-8)7-16-13(18)9-3-5-11-12(6-9)20-14(15)17-11/h2-6H,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyKCSUVWILDSFBEI-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349363
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351
2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 110451539
2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
CID 103461431
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106381237
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 65349456) is 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3nc(N)sc3c2)o1.
What is the InChIKey of 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is KCSUVWILDSFBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-2-4-10(19-8)7-16-13(18)9-3-5-11-12(6-9)20-14(15)17-11/h2-6H,7H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).