N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride

C22H22ClN3O3S — CID 44929512

IUPACN-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride
SMILESCN(C)CCCN(C(=O)c1coc2ccccc2c1=O)c1nc2ccccc2s1.Cl
InChIInChI=1S/C22H21N3O3S.ClH/c1-24(2)12-7-13-25(22-23-17-9-4-6-11-19(17)29-22)21(27)16-14-28-18-10-5-3-8-15(18)20(16)26;/h3-6,8-11,14H,7,12-13H2,1-2H3;1H
InChIKeyLWWDSQCMNYIKAL-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.42
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride

N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride (PubChem CID 44929512) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride
PubChem CID44929512
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride
SMILESCN(C)CCCN(C(=O)c1coc2ccccc2c1=O)c1nc2ccccc2s1.Cl
InChIInChI=1S/C22H21N3O3S.ClH/c1-24(2)12-7-13-25(22-23-17-9-4-6-11-19(17)29-22)21(27)16-14-28-18-10-5-3-8-15(18)20(16)26;/h3-6,8-11,14H,7,12-13H2,1-2H3;1H
InChIKeyLWWDSQCMNYIKAL-UHFFFAOYSA-N
XLogP4.42
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44929489
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 16847625
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 44929614
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide;hydrochloride
CID 44929600
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide;hydrochloride
CID 44929496
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide;hydrochloride
CID 44929835
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 41341076
N-[3-(dimethylamino)propyl]-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929609
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonylbenzamide
CID 7580125
2-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 18576642
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylquinoline-4-carboxamide
CID 43963620

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride (CID 44929512) is N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride is CN(C)CCCN(C(=O)c1coc2ccccc2c1=O)c1nc2ccccc2s1.Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride?
The InChIKey is LWWDSQCMNYIKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S.ClH/c1-24(2)12-7-13-25(22-23-17-9-4-6-11-19(17)29-22)21(27)16-14-28-18-10-5-3-8-15(18)20(16)26;/h3-6,8-11,14H,7,12-13H2,1-2H3;1H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride?
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride has a molecular weight of 443.96 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-oxochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 44929512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).