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

C21H22N4O2S — CID 171466726

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C21H22N4O2S/c26-20(23-16-7-12-27-18-4-2-1-3-15(16)18)14-5-6-17-19(13-14)28-21(24-17)25-10-8-22-9-11-25/h1-6,13,16,22H,7-12H2,(H,23,26)
InChIKeyBVPTYKBLQVVLOR-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.96
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 171466726) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
PubChem CID171466726
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C21H22N4O2S/c26-20(23-16-7-12-27-18-4-2-1-3-15(16)18)14-5-6-17-19(13-14)28-21(24-17)25-10-8-22-9-11-25/h1-6,13,16,22H,7-12H2,(H,23,26)
InChIKeyBVPTYKBLQVVLOR-UHFFFAOYSA-N
XLogP2.96
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 174201478
2-(4-tert-butylpiperazin-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164874834
2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875010
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyrrolidin-3-yl-1,3-benzothiazole-6-carboxamide
CID 164875095
N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
CID 174203775
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164874875
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
CID 174199219
2-(6-cyclopropyl-3-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164874924
1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
CID 153084897
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide (CID 171466726) is N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide is O=C(NC1CCOc2ccccc21)c1ccc2nc(N3CCNCC3)sc2c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is BVPTYKBLQVVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-20(23-16-7-12-27-18-4-2-1-3-15(16)18)14-5-6-17-19(13-14)28-21(24-17)25-10-8-22-9-11-25/h1-6,13,16,22H,7-12H2,(H,23,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 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-piperazin-1-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 171466726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).