[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone

C16H18ClN3OS — CID 120899134

IUPAC[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESNc1ncc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C16H18ClN3OS/c17-13-3-1-11(2-4-13)15(21)12-5-7-20(8-6-12)10-14-9-19-16(18)22-14/h1-4,9,12H,5-8,10H2,(H2,18,19)
InChIKeyZTAKJKNEIMRNPY-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.47
Rot. Bonds4

About [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone

[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone (PubChem CID 120899134) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
PubChem CID120899134
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESNc1ncc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C16H18ClN3OS/c17-13-3-1-11(2-4-13)15(21)12-5-7-20(8-6-12)10-14-9-19-16(18)22-14/h1-4,9,12H,5-8,10H2,(H2,18,19)
InChIKeyZTAKJKNEIMRNPY-UHFFFAOYSA-N
XLogP3.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone (CID 120899134) is [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone is Nc1ncc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is ZTAKJKNEIMRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-13-3-1-11(2-4-13)15(21)12-5-7-20(8-6-12)10-14-9-19-16(18)22-14/h1-4,9,12H,5-8,10H2,(H2,18,19).
What are the key properties of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone?
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 335.86 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 120899134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).