2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol

C16H22N4OS — CID 95827934

IUPAC2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
SMILESCc1ccc(Nc2nc([C@@H]3CCCN(CCO)C3)cs2)nc1
InChIInChI=1S/C16H22N4OS/c1-12-4-5-15(17-9-12)19-16-18-14(11-22-16)13-3-2-6-20(10-13)7-8-21/h4-5,9,11,13,21H,2-3,6-8,10H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeySALDAAFGJXEHSO-CYBMUJFWSA-N
MW318.45 g/mol
LogP2.76
Rot. Bonds5

About 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol

2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol (PubChem CID 95827934) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
PubChem CID95827934
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
SMILESCc1ccc(Nc2nc([C@@H]3CCCN(CCO)C3)cs2)nc1
InChIInChI=1S/C16H22N4OS/c1-12-4-5-15(17-9-12)19-16-18-14(11-22-16)13-3-2-6-20(10-13)7-8-21/h4-5,9,11,13,21H,2-3,6-8,10H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeySALDAAFGJXEHSO-CYBMUJFWSA-N
XLogP2.76
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol (CID 95827934) is 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol is Cc1ccc(Nc2nc([C@@H]3CCCN(CCO)C3)cs2)nc1.
What is the InChIKey of 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol?
The InChIKey is SALDAAFGJXEHSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-4-5-15(17-9-12)19-16-18-14(11-22-16)13-3-2-6-20(10-13)7-8-21/h4-5,9,11,13,21H,2-3,6-8,10H2,1H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol?
2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol has a molecular weight of 318.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95827934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).