2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole

C10H15ClN2S — CID 130552477

IUPAC2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCN(Cc2csc(Cl)n2)CC1
InChIInChI=1S/C10H15ClN2S/c1-8-2-4-13(5-3-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3
InChIKeyFWPGSTMBPFVGEJ-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.03
Rot. Bonds2

About 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole

2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 130552477) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID130552477
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCN(Cc2csc(Cl)n2)CC1
InChIInChI=1S/C10H15ClN2S/c1-8-2-4-13(5-3-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3
InChIKeyFWPGSTMBPFVGEJ-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 130552477) is 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole is CC1CCN(Cc2csc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is FWPGSTMBPFVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8-2-4-13(5-3-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 230.76 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 130552477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).