4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole

C9H13ClN2OS — CID 102954585

IUPAC4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
SMILESCC1CCNCC1Oc1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-6-2-3-11-4-7(6)13-9-12-8(10)5-14-9/h5-7,11H,2-4H2,1H3
InChIKeyIQYJMBRAXRTJNV-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.17
Rot. Bonds2

About 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole

4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole (PubChem CID 102954585) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
PubChem CID102954585
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
SMILESCC1CCNCC1Oc1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-6-2-3-11-4-7(6)13-9-12-8(10)5-14-9/h5-7,11H,2-4H2,1H3
InChIKeyIQYJMBRAXRTJNV-UHFFFAOYSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole
CID 102954515
4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole
CID 83152627
4-methyl-2-pyrrolidin-3-yloxy-1,3-thiazole
CID 62347813
2,5-dimethyl-3-(4-methylpiperidin-3-yl)oxypyrazine
CID 102954494
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole
CID 102606214
4-(4-methylpiperidin-3-yl)oxypyrimidine
CID 102954700
4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole
CID 79400429
6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
CID 102954442
5-bromo-4-(4-methylpiperidin-3-yl)oxypyrimidine
CID 102954683
6-(4-methylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 102954424
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole (CID 102954585) is 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole is CC1CCNCC1Oc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
The InChIKey is IQYJMBRAXRTJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6-2-3-11-4-7(6)13-9-12-8(10)5-14-9/h5-7,11H,2-4H2,1H3.
What are the key properties of 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole?
4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole has a molecular weight of 232.74 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylpiperidin-3-yl)oxy-1,3-thiazole is sourced from PubChem (CID 102954585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).