N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide

C19H14N2O2S — CID 754915

IUPACN-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1
InChIInChI=1S/C19H14N2O2S/c1-12-4-9-17-15(11-12)21-19(24-17)13-5-7-14(8-6-13)20-18(22)16-3-2-10-23-16/h2-11H,1H3,(H,20,22)
InChIKeyBYXUDVOXPCRVHZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.12
Rot. Bonds3

About N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide

N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 754915) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID754915
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1
InChIInChI=1S/C19H14N2O2S/c1-12-4-9-17-15(11-12)21-19(24-17)13-5-7-14(8-6-13)20-18(22)16-3-2-10-23-16/h2-11H,1H3,(H,20,22)
InChIKeyBYXUDVOXPCRVHZ-UHFFFAOYSA-N
XLogP5.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-Benzothiazol-2-yl)furan-2-carbaldehyde
CID 727559
N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
CID 565816
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide
CID 1086066
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2101616
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 2811044
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 8893265
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1242890
N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 739613
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 738225

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide (CID 754915) is N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide is Cc1ccc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is BYXUDVOXPCRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-4-9-17-15(11-12)21-19(24-17)13-5-7-14(8-6-13)20-18(22)16-3-2-10-23-16/h2-11H,1H3,(H,20,22).
What are the key properties of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 754915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).