2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

C16H21N5OS — CID 110095864

IUPAC2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCc1csc(Nc2cccc(C3CCN(C(=O)CN)CC3)n2)n1
InChIInChI=1S/C16H21N5OS/c1-11-10-23-16(18-11)20-14-4-2-3-13(19-14)12-5-7-21(8-6-12)15(22)9-17/h2-4,10,12H,5-9,17H2,1H3,(H,18,19,20)
InChIKeyNXWPNCYUFZAEMP-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110095864) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110095864
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCc1csc(Nc2cccc(C3CCN(C(=O)CN)CC3)n2)n1
InChIInChI=1S/C16H21N5OS/c1-11-10-23-16(18-11)20-14-4-2-3-13(19-14)12-5-7-21(8-6-12)15(22)9-17/h2-4,10,12H,5-9,17H2,1H3,(H,18,19,20)
InChIKeyNXWPNCYUFZAEMP-UHFFFAOYSA-N
XLogP2.25
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[6-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093864
2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835387
2-amino-1-[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 124966798
2-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 110268824
2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110093792
(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835423
4-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 73439798
2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124942190
2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 171687270
1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095429
2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265442
2-hydroxy-1-[3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110095412

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110095864) is 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is Cc1csc(Nc2cccc(C3CCN(C(=O)CN)CC3)n2)n1.
What is the InChIKey of 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is NXWPNCYUFZAEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-10-23-16(18-11)20-14-4-2-3-13(19-14)12-5-7-21(8-6-12)15(22)9-17/h2-4,10,12H,5-9,17H2,1H3,(H,18,19,20).
What are the key properties of 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 331.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110095864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).