N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C19H15ClN2O3S — CID 108739125

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)ccc2O1
InChIInChI=1S/C19H15ClN2O3S/c1-19(2)9-14(23)12-7-10(3-6-15(12)25-19)17(24)22-18-21-13-5-4-11(20)8-16(13)26-18/h3-8H,9H2,1-2H3,(H,21,22,24)
InChIKeyWXUIXXCASNKUAR-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.95
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108739125) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108739125
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)ccc2O1
InChIInChI=1S/C19H15ClN2O3S/c1-19(2)9-14(23)12-7-10(3-6-15(12)25-19)17(24)22-18-21-13-5-4-11(20)8-16(13)26-18/h3-8H,9H2,1-2H3,(H,21,22,24)
InChIKeyWXUIXXCASNKUAR-UHFFFAOYSA-N
XLogP4.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8582473
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 112794484
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046620
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108739125) is N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)ccc2O1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is WXUIXXCASNKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-19(2)9-14(23)12-7-10(3-6-15(12)25-19)17(24)22-18-21-13-5-4-11(20)8-16(13)26-18/h3-8H,9H2,1-2H3,(H,21,22,24).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.95, 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)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108739125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).