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

C19H28N4OS — CID 124940651

IUPAC(3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol
SMILESCc1csc(Nc2cccc(CC3CCN([C@@H](C)CCO)CC3)n2)n1
InChIInChI=1S/C19H28N4OS/c1-14-13-25-19(20-14)22-18-5-3-4-17(21-18)12-16-6-9-23(10-7-16)15(2)8-11-24/h3-5,13,15-16,24H,6-12H2,1-2H3,(H,20,21,22)/t15-/m0/s1
InChIKeyAHSMMUDTDNNEHW-HNNXBMFYSA-N
MW360.53 g/mol
LogP3.62
Rot. Bonds7

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

(3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol (PubChem CID 124940651) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name(3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol
PubChem CID124940651
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name(3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol
SMILESCc1csc(Nc2cccc(CC3CCN([C@@H](C)CCO)CC3)n2)n1
InChIInChI=1S/C19H28N4OS/c1-14-13-25-19(20-14)22-18-5-3-4-17(21-18)12-16-6-9-23(10-7-16)15(2)8-11-24/h3-5,13,15-16,24H,6-12H2,1-2H3,(H,20,21,22)/t15-/m0/s1
InChIKeyAHSMMUDTDNNEHW-HNNXBMFYSA-N
XLogP3.62
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol with MolForge

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Related Compounds

2-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 110268824
(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
CID 95823903
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-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110095864
4-methyl-N-[6-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093864
4-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 73439798
1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95815297
5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
1-[(4R)-4-[[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]methyl]azepan-1-yl]ethanone
CID 129387128
2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol
CID 124973957

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol (CID 124940651) is (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol is Cc1csc(Nc2cccc(CC3CCN([C@@H](C)CCO)CC3)n2)n1.
What is the InChIKey of (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is AHSMMUDTDNNEHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-14-13-25-19(20-14)22-18-5-3-4-17(21-18)12-16-6-9-23(10-7-16)15(2)8-11-24/h3-5,13,15-16,24H,6-12H2,1-2H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol?
(3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 360.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 124940651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).