4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine

C19H23N5S — CID 165423145

IUPAC4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCn1ccc(CN2CCC(c3ccccc3)(c3csc(N)n3)CC2)n1
InChIInChI=1S/C19H23N5S/c1-23-10-7-16(22-23)13-24-11-8-19(9-12-24,15-5-3-2-4-6-15)17-14-25-18(20)21-17/h2-7,10,14H,8-9,11-13H2,1H3,(H2,20,21)
InChIKeyBHTONYXNIAWVNR-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.04
Rot. Bonds4

About 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine

4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 165423145) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID165423145
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCn1ccc(CN2CCC(c3ccccc3)(c3csc(N)n3)CC2)n1
InChIInChI=1S/C19H23N5S/c1-23-10-7-16(22-23)13-24-11-8-19(9-12-24,15-5-3-2-4-6-15)17-14-25-18(20)21-17/h2-7,10,14H,8-9,11-13H2,1H3,(H2,20,21)
InChIKeyBHTONYXNIAWVNR-UHFFFAOYSA-N
XLogP3.04
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (CID 165423145) is 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is Cn1ccc(CN2CCC(c3ccccc3)(c3csc(N)n3)CC2)n1.
What is the InChIKey of 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is BHTONYXNIAWVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-23-10-7-16(22-23)13-24-11-8-19(9-12-24,15-5-3-2-4-6-15)17-14-25-18(20)21-17/h2-7,10,14H,8-9,11-13H2,1H3,(H2,20,21).
What are the key properties of 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 353.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 165423145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).