2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C16H19N5O2S2 — CID 5329335

IUPAC2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCS(=O)(=O)C1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1
InChIInChI=1S/C16H19N5O2S2/c1-25(22,23)14-3-6-21(7-4-14)11-12-2-5-18-15(8-12)20-16-19-10-13(9-17)24-16/h2,5,8,10,14H,3-4,6-7,11H2,1H3,(H,18,19,20)
InChIKeyMAUCYALFIUOTRM-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.16
Rot. Bonds5

About 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 5329335) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID5329335
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCS(=O)(=O)C1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1
InChIInChI=1S/C16H19N5O2S2/c1-25(22,23)14-3-6-21(7-4-14)11-12-2-5-18-15(8-12)20-16-19-10-13(9-17)24-16/h2,5,8,10,14H,3-4,6-7,11H2,1H3,(H,18,19,20)
InChIKeyMAUCYALFIUOTRM-UHFFFAOYSA-N
XLogP2.16
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 5329335) is 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is CS(=O)(=O)C1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1.
What is the InChIKey of 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is MAUCYALFIUOTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-25(22,23)14-3-6-21(7-4-14)11-12-2-5-18-15(8-12)20-16-19-10-13(9-17)24-16/h2,5,8,10,14H,3-4,6-7,11H2,1H3,(H,18,19,20).
What are the key properties of 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 377.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 5329335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).