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

C13H18N4S — CID 125011600

IUPAC5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cn[nH]c1[C@@H]1CCCCN1Cc1cncs1
InChIInChI=1S/C13H18N4S/c1-10-6-15-16-13(10)12-4-2-3-5-17(12)8-11-7-14-9-18-11/h6-7,9,12H,2-5,8H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyVRMCJBOCYCLOGN-LBPRGKRZSA-N
MW262.38 g/mol
LogP2.90
Rot. Bonds3

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

5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 125011600) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID125011600
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cn[nH]c1[C@@H]1CCCCN1Cc1cncs1
InChIInChI=1S/C13H18N4S/c1-10-6-15-16-13(10)12-4-2-3-5-17(12)8-11-7-14-9-18-11/h6-7,9,12H,2-5,8H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyVRMCJBOCYCLOGN-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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Related Compounds

3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124955189
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644416
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95843085
5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95826979
N,N-dimethyl-1-[2-methyl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116763
5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95824213
5-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-1,3-thiazole
CID 68865181

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 125011600) is 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cn[nH]c1[C@@H]1CCCCN1Cc1cncs1.
What is the InChIKey of 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VRMCJBOCYCLOGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-6-15-16-13(10)12-4-2-3-5-17(12)8-11-7-14-9-18-11/h6-7,9,12H,2-5,8H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-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 5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 125011600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).