chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine

C16H23ClN4S — CID 159437389

IUPACchloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine
SMILESCCl.NCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H20N4S.CH3Cl/c16-9-12-4-7-19(8-5-12)11-13-10-18-15(20-13)14-3-1-2-6-17-14;1-2/h1-3,6,10,12H,4-5,7-9,11,16H2;1H3
InChIKeyLRTBMUJLFGXXPM-UHFFFAOYSA-N
MW338.91 g/mol
LogP3.23
Rot. Bonds4

About chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine

chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 159437389) has the molecular formula C16H23ClN4S and a molecular weight of 338.91 g/mol. Its IUPAC name is chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Namechloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine
PubChem CID159437389
Molecular FormulaC16H23ClN4S
Molecular Weight338.91 g/mol
Exact Mass338.13
IUPAC Namechloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine
SMILESCCl.NCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H20N4S.CH3Cl/c16-9-12-4-7-19(8-5-12)11-13-10-18-15(20-13)14-3-1-2-6-17-14;1-2/h1-3,6,10,12H,4-5,7-9,11,16H2;1H3
InChIKeyLRTBMUJLFGXXPM-UHFFFAOYSA-N
XLogP3.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine (CID 159437389) is chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine is CCl.NCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1.
What is the InChIKey of chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is LRTBMUJLFGXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S.CH3Cl/c16-9-12-4-7-19(8-5-12)11-13-10-18-15(20-13)14-3-1-2-6-17-14;1-2/h1-3,6,10,12H,4-5,7-9,11,16H2;1H3.
What are the key properties of chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine?
chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 338.91 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 159437389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).