N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C26H33N5O2S — CID 20921295

IUPACN-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H33N5O2S/c32-24(30-15-13-29(14-16-30)22-5-2-1-3-6-22)19-20-8-10-21(11-9-20)28-26(33)31-17-18-34-25-23(31)7-4-12-27-25/h4,7-12,22H,1-3,5-6,13-19H2,(H,28,33)
InChIKeyUCAXCJLKCSRYCQ-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.25
Rot. Bonds4

About N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20921295) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20921295
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC NameN-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H33N5O2S/c32-24(30-15-13-29(14-16-30)22-5-2-1-3-6-22)19-20-8-10-21(11-9-20)28-26(33)31-17-18-34-25-23(31)7-4-12-27-25/h4,7-12,22H,1-3,5-6,13-19H2,(H,28,33)
InChIKeyUCAXCJLKCSRYCQ-UHFFFAOYSA-N
XLogP4.25
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921300
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921257
N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691885
N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691884
N-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921260
N-[4-[2-oxo-2-(3-propylsulfanylpropylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921288
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921101
N-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338616
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate
CID 20920703
1-(4-cyclohexylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
CID 1247704

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20921295) is N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is UCAXCJLKCSRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c32-24(30-15-13-29(14-16-30)22-5-2-1-3-6-22)19-20-8-10-21(11-9-20)28-26(33)31-17-18-34-25-23(31)7-4-12-27-25/h4,7-12,22H,1-3,5-6,13-19H2,(H,28,33).
What are the key properties of N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20921295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).