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

C13H18N4S — CID 136541469

IUPAC4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1[nH]ncc1C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C13H18N4S/c1-10-13(6-15-16-10)11-2-4-17(5-3-11)7-12-8-18-9-14-12/h6,8-9,11H,2-5,7H2,1H3,(H,15,16)
InChIKeyZWPRZUKUZLUUBW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.55
Rot. Bonds3

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

4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 136541469) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID136541469
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1[nH]ncc1C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C13H18N4S/c1-10-13(6-15-16-10)11-2-4-17(5-3-11)7-12-8-18-9-14-12/h6,8-9,11H,2-5,7H2,1H3,(H,15,16)
InChIKeyZWPRZUKUZLUUBW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine
CID 154778650
4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124951938
4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124945248
4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099949
4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214
3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136673309
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72842227
4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 39983265

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 136541469) is 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1[nH]ncc1C1CCN(Cc2cscn2)CC1.
What is the InChIKey of 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is ZWPRZUKUZLUUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-13(6-15-16-10)11-2-4-17(5-3-11)7-12-8-18-9-14-12/h6,8-9,11H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 262.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 136541469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).