2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole

C13H18N4S — CID 164629468

IUPAC2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESCc1cn[nH]c1CN1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H18N4S/c1-10-8-15-16-11(10)9-17-6-3-2-4-12(17)13-14-5-7-18-13/h5,7-8,12H,2-4,6,9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyLAUNDEARQWCPEI-LBPRGKRZSA-N
MW262.38 g/mol
LogP2.90
Rot. Bonds3

About 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole

2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole (PubChem CID 164629468) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole
PubChem CID164629468
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESCc1cn[nH]c1CN1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H18N4S/c1-10-8-15-16-11(10)9-17-6-3-2-4-12(17)13-14-5-7-18-13/h5,7-8,12H,2-4,6,9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyLAUNDEARQWCPEI-LBPRGKRZSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole (CID 164629468) is 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole is Cc1cn[nH]c1CN1CCCC[C@H]1c1nccs1.
What is the InChIKey of 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The InChIKey is LAUNDEARQWCPEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-8-15-16-11(10)9-17-6-3-2-4-12(17)13-14-5-7-18-13/h5,7-8,12H,2-4,6,9H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole?
2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole has a molecular weight of 262.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 164629468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).