4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole

C12H18N2OS — CID 104749815

IUPAC4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1C1CCOC1
InChIInChI=1S/C12H18N2OS/c1-4-13-5-2-9(1)12-14-11(8-16-12)10-3-6-15-7-10/h8-10,13H,1-7H2
InChIKeyBKDPQZZTLOBCQA-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.11
Rot. Bonds2

About 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole

4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 104749815) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID104749815
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1C1CCOC1
InChIInChI=1S/C12H18N2OS/c1-4-13-5-2-9(1)12-14-11(8-16-12)10-3-6-15-7-10/h8-10,13H,1-7H2
InChIKeyBKDPQZZTLOBCQA-UHFFFAOYSA-N
XLogP2.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 116888938
[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 174655952

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole (CID 104749815) is 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole is c1sc(C2CCNCC2)nc1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is BKDPQZZTLOBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-13-5-2-9(1)12-14-11(8-16-12)10-3-6-15-7-10/h8-10,13H,1-7H2.
What are the key properties of 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 238.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 104749815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).