N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide

C22H24N4O2S — CID 174201478

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
SMILESCN1CCN(c2nc3ccc(C(=O)NC4CCOc5ccccc54)cc3s2)CC1
InChIInChI=1S/C22H24N4O2S/c1-25-9-11-26(12-10-25)22-24-18-7-6-15(14-20(18)29-22)21(27)23-17-8-13-28-19-5-3-2-4-16(17)19/h2-7,14,17H,8-13H2,1H3,(H,23,27)
InChIKeyQWCUWAMWGLOWNR-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.30
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 174201478) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID174201478
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
SMILESCN1CCN(c2nc3ccc(C(=O)NC4CCOc5ccccc54)cc3s2)CC1
InChIInChI=1S/C22H24N4O2S/c1-25-9-11-26(12-10-25)22-24-18-7-6-15(14-20(18)29-22)21(27)23-17-8-13-28-19-5-3-2-4-16(17)19/h2-7,14,17H,8-13H2,1H3,(H,23,27)
InChIKeyQWCUWAMWGLOWNR-UHFFFAOYSA-N
XLogP3.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

2-(4-tert-butylpiperazin-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164874834
N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
CID 171466726
2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875010
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
CID 174199219
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164874875
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948274
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyrrolidin-3-yl-1,3-benzothiazole-6-carboxamide
CID 164875095
2-(6-cyclopropyl-3-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164874924
1-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]ethanone
CID 141421140
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-ethylpiperazin-1-yl)-1,3-benzoxazole-5-carboxamide
CID 170948294
N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
CID 174203775
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide (CID 174201478) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide is CN1CCN(c2nc3ccc(C(=O)NC4CCOc5ccccc54)cc3s2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is QWCUWAMWGLOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-25-9-11-26(12-10-25)22-24-18-7-6-15(14-20(18)29-22)21(27)23-17-8-13-28-19-5-3-2-4-16(17)19/h2-7,14,17H,8-13H2,1H3,(H,23,27).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 174201478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).