2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole

C13H20N2OS — CID 116888781

IUPAC2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESc1sc(C2CCOCC2)nc1CC1CCNC1
InChIInChI=1S/C13H20N2OS/c1-4-14-8-10(1)7-12-9-17-13(15-12)11-2-5-16-6-3-11/h9-11,14H,1-8H2
InChIKeyMVSGZURTVFBXIO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.19
Rot. Bonds3

About 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole

2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 116888781) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID116888781
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESc1sc(C2CCOCC2)nc1CC1CCNC1
InChIInChI=1S/C13H20N2OS/c1-4-14-8-10(1)7-12-9-17-13(15-12)11-2-5-16-6-3-11/h9-11,14H,1-8H2
InChIKeyMVSGZURTVFBXIO-UHFFFAOYSA-N
XLogP2.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
CID 105479874
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
CID 115087796
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 116888781) is 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is c1sc(C2CCOCC2)nc1CC1CCNC1.
What is the InChIKey of 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is MVSGZURTVFBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-14-8-10(1)7-12-9-17-13(15-12)11-2-5-16-6-3-11/h9-11,14H,1-8H2.
What are the key properties of 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 252.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116888781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).