N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine

C20H23N5O2S2 — CID 5329327

IUPACN-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1
InChIInChI=1S/C20H23N5O2S2/c1-29(26,27)25-11-9-24(10-12-25)15-16-7-8-21-19(13-16)23-20-22-14-18(28-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,21,22,23)
InChIKeyYFVAGXCBQNGTOV-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.03
Rot. Bonds6

About N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine

N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine (PubChem CID 5329327) has the molecular formula C20H23N5O2S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
PubChem CID5329327
Molecular FormulaC20H23N5O2S2
Molecular Weight429.57 g/mol
Exact Mass429.13
IUPAC NameN-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1
InChIInChI=1S/C20H23N5O2S2/c1-29(26,27)25-11-9-24(10-12-25)15-16-7-8-21-19(13-16)23-20-22-14-18(28-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,21,22,23)
InChIKeyYFVAGXCBQNGTOV-UHFFFAOYSA-N
XLogP3.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine (CID 5329327) is N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine is CS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1.
What is the InChIKey of N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is YFVAGXCBQNGTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S2/c1-29(26,27)25-11-9-24(10-12-25)15-16-7-8-21-19(13-16)23-20-22-14-18(28-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,21,22,23).
What are the key properties of N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine?
N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 429.57 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 5329327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).