4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine

C19H22ClN5S — CID 165417813

IUPAC4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1[nH]nc(CN2CCC(c3ccccc3)(c3csc(N)n3)CC2)c1Cl
InChIInChI=1S/C19H22ClN5S/c1-13-17(20)15(24-23-13)11-25-9-7-19(8-10-25,14-5-3-2-4-6-14)16-12-26-18(21)22-16/h2-6,12H,7-11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyFRSFREZRDMANMZ-UHFFFAOYSA-N
MW387.94 g/mol
LogP3.99
Rot. Bonds4

About 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine

4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 165417813) has the molecular formula C19H22ClN5S and a molecular weight of 387.94 g/mol. Its IUPAC name is 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID165417813
Molecular FormulaC19H22ClN5S
Molecular Weight387.94 g/mol
Exact Mass387.13
IUPAC Name4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1[nH]nc(CN2CCC(c3ccccc3)(c3csc(N)n3)CC2)c1Cl
InChIInChI=1S/C19H22ClN5S/c1-13-17(20)15(24-23-13)11-25-9-7-19(8-10-25,14-5-3-2-4-6-14)16-12-26-18(21)22-16/h2-6,12H,7-11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyFRSFREZRDMANMZ-UHFFFAOYSA-N
XLogP3.99
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (CID 165417813) is 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is Cc1[nH]nc(CN2CCC(c3ccccc3)(c3csc(N)n3)CC2)c1Cl.
What is the InChIKey of 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is FRSFREZRDMANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5S/c1-13-17(20)15(24-23-13)11-25-9-7-19(8-10-25,14-5-3-2-4-6-14)16-12-26-18(21)22-16/h2-6,12H,7-11H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 387.94 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 165417813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).