5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine

C22H27N5O2S2 — CID 55433927

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine
SMILESCc1nc(-c2ccc(CCNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2)cs1
InChIInChI=1S/C22H27N5O2S2/c1-17-25-21(16-30-17)19-5-3-18(4-6-19)9-10-23-22-8-7-20(15-24-22)31(28,29)27-13-11-26(2)12-14-27/h3-8,15-16H,9-14H2,1-2H3,(H,23,24)
InChIKeyDOGIBHIAZVIWCI-UHFFFAOYSA-N
MW457.63 g/mol
LogP3.10
Rot. Bonds7

About 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine

5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine (PubChem CID 55433927) has the molecular formula C22H27N5O2S2 and a molecular weight of 457.63 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine
PubChem CID55433927
Molecular FormulaC22H27N5O2S2
Molecular Weight457.63 g/mol
Exact Mass457.16
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine
SMILESCc1nc(-c2ccc(CCNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2)cs1
InChIInChI=1S/C22H27N5O2S2/c1-17-25-21(16-30-17)19-5-3-18(4-6-19)9-10-23-22-8-7-20(15-24-22)31(28,29)27-13-11-26(2)12-14-27/h3-8,15-16H,9-14H2,1-2H3,(H,23,24)
InChIKeyDOGIBHIAZVIWCI-UHFFFAOYSA-N
XLogP3.10
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133406055
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133347670
2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 108771421
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 46632803
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16568145
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133405566

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine (CID 55433927) is 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine is Cc1nc(-c2ccc(CCNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2)cs1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine?
The InChIKey is DOGIBHIAZVIWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S2/c1-17-25-21(16-30-17)19-5-3-18(4-6-19)9-10-23-22-8-7-20(15-24-22)31(28,29)27-13-11-26(2)12-14-27/h3-8,15-16H,9-14H2,1-2H3,(H,23,24).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine?
5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine has a molecular weight of 457.63 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 55433927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).