N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide

C18H14N2O2S — CID 9046682

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3=Cc4ccccc4OC3)cc2s1
InChIInChI=1S/C18H14N2O2S/c1-11-19-15-7-6-14(9-17(15)23-11)20-18(21)13-8-12-4-2-3-5-16(12)22-10-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyRBVSYFQPIMUVBT-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.02
Rot. Bonds2

About N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide (PubChem CID 9046682) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
PubChem CID9046682
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3=Cc4ccccc4OC3)cc2s1
InChIInChI=1S/C18H14N2O2S/c1-11-19-15-7-6-14(9-17(15)23-11)20-18(21)13-8-12-4-2-3-5-16(12)22-10-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyRBVSYFQPIMUVBT-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
(3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096285
N-[3-(thiophene-2-carbonylamino)phenyl]-2H-chromene-3-carboxamide
CID 31516670
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
N-methyl-2H-chromene-3-carboxamide
CID 13029267
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
4-(1,3-dithiolan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4822322

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide (CID 9046682) is N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide is Cc1nc2ccc(NC(=O)C3=Cc4ccccc4OC3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide?
The InChIKey is RBVSYFQPIMUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-11-19-15-7-6-14(9-17(15)23-11)20-18(21)13-8-12-4-2-3-5-16(12)22-10-13/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 9046682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).