4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

C13H19ClN4S — CID 120558239

IUPAC4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1nn(C)cc1-c1csc(C2CCNCC2)n1.Cl
InChIInChI=1S/C13H18N4S.ClH/c1-9-11(7-17(2)16-9)12-8-18-13(15-12)10-3-5-14-6-4-10;/h7-8,10,14H,3-6H2,1-2H3;1H
InChIKeyKUOUXDLTCWQUDA-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.74
Rot. Bonds2

About 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 120558239) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
PubChem CID120558239
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1nn(C)cc1-c1csc(C2CCNCC2)n1.Cl
InChIInChI=1S/C13H18N4S.ClH/c1-9-11(7-17(2)16-9)12-8-18-13(15-12)10-3-5-14-6-4-10;/h7-8,10,14H,3-6H2,1-2H3;1H
InChIKeyKUOUXDLTCWQUDA-UHFFFAOYSA-N
XLogP2.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (CID 120558239) is 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is Cc1nn(C)cc1-c1csc(C2CCNCC2)n1.Cl.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is KUOUXDLTCWQUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S.ClH/c1-9-11(7-17(2)16-9)12-8-18-13(15-12)10-3-5-14-6-4-10;/h7-8,10,14H,3-6H2,1-2H3;1H.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120558239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).