N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide

C17H9ClN2O3S — CID 1144036

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H9ClN2O3S/c18-10-5-6-12-14(8-10)24-17(19-12)20-15(21)11-7-9-3-1-2-4-13(9)23-16(11)22/h1-8H,(H,19,20,21)
InChIKeyBZHBRRVSGWAKIM-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.31
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 1144036) has the molecular formula C17H9ClN2O3S and a molecular weight of 356.79 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID1144036
Molecular FormulaC17H9ClN2O3S
Molecular Weight356.79 g/mol
Exact Mass356.00
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H9ClN2O3S/c18-10-5-6-12-14(8-10)24-17(19-12)20-15(21)11-7-9-3-1-2-4-13(9)23-16(11)22/h1-8H,(H,19,20,21)
InChIKeyBZHBRRVSGWAKIM-UHFFFAOYSA-N
XLogP4.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202864
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 2150730
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7615195
3-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 41115293
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7590071
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 1185919
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide (CID 1144036) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is BZHBRRVSGWAKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN2O3S/c18-10-5-6-12-14(8-10)24-17(19-12)20-15(21)11-7-9-3-1-2-4-13(9)23-16(11)22/h1-8H,(H,19,20,21).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1144036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).