2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol

C15H21N5OS — CID 95823667

IUPAC2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCc1csc(Nc2nccnc2[C@H]2CCCN(CCO)C2)n1
InChIInChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-4-5-17-14)12-3-2-6-20(9-12)7-8-21/h4-5,10,12,21H,2-3,6-9H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyCVCDUTLEYIPLOK-LBPRGKRZSA-N
MW319.43 g/mol
LogP2.16
Rot. Bonds5

About 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol

2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol (PubChem CID 95823667) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
PubChem CID95823667
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCc1csc(Nc2nccnc2[C@H]2CCCN(CCO)C2)n1
InChIInChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-4-5-17-14)12-3-2-6-20(9-12)7-8-21/h4-5,10,12,21H,2-3,6-9H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyCVCDUTLEYIPLOK-LBPRGKRZSA-N
XLogP2.16
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol (CID 95823667) is 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol is Cc1csc(Nc2nccnc2[C@H]2CCCN(CCO)C2)n1.
What is the InChIKey of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is CVCDUTLEYIPLOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-4-5-17-14)12-3-2-6-20(9-12)7-8-21/h4-5,10,12,21H,2-3,6-9H2,1H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?
2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 319.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95823667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).