N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide

C18H11ClN2O4S — CID 7590071

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3cc4ccccc4oc3=O)nc12
InChIInChI=1S/C18H11ClN2O4S/c1-24-13-7-6-11(19)15-14(13)20-18(26-15)21-16(22)10-8-9-4-2-3-5-12(9)25-17(10)23/h2-8H,1H3,(H,20,21,22)
InChIKeyWIIIUELVMGFDHP-UHFFFAOYSA-N
MW386.82 g/mol
LogP4.32
Rot. Bonds3

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 7590071) has the molecular formula C18H11ClN2O4S and a molecular weight of 386.82 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID7590071
Molecular FormulaC18H11ClN2O4S
Molecular Weight386.82 g/mol
Exact Mass386.01
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3cc4ccccc4oc3=O)nc12
InChIInChI=1S/C18H11ClN2O4S/c1-24-13-7-6-11(19)15-14(13)20-18(26-15)21-16(22)10-8-9-4-2-3-5-12(9)25-17(10)23/h2-8H,1H3,(H,20,21,22)
InChIKeyWIIIUELVMGFDHP-UHFFFAOYSA-N
XLogP4.32
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 7590156
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 43953293
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 2150730
3-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 41074352
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7590113
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7615195
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide (CID 7590071) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide is COc1ccc(Cl)c2sc(NC(=O)c3cc4ccccc4oc3=O)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is WIIIUELVMGFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O4S/c1-24-13-7-6-11(19)15-14(13)20-18(26-15)21-16(22)10-8-9-4-2-3-5-12(9)25-17(10)23/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 386.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 7590071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).