N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine

C11H16N2OS — CID 115757871

IUPACN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
SMILESc1nc(C2CC2)sc1CNC1CCOC1
InChIInChI=1S/C11H16N2OS/c1-2-8(1)11-13-6-10(15-11)5-12-9-3-4-14-7-9/h6,8-9,12H,1-5,7H2
InChIKeyYCXLDAUSQKJTHL-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.90
Rot. Bonds4

About N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine

N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine (PubChem CID 115757871) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
PubChem CID115757871
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
SMILESc1nc(C2CC2)sc1CNC1CCOC1
InChIInChI=1S/C11H16N2OS/c1-2-8(1)11-13-6-10(15-11)5-12-9-3-4-14-7-9/h6,8-9,12H,1-5,7H2
InChIKeyYCXLDAUSQKJTHL-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65390861
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
(3R)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 126987035
(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 130646271
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754021
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine (CID 115757871) is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine is c1nc(C2CC2)sc1CNC1CCOC1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is YCXLDAUSQKJTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-8(1)11-13-6-10(15-11)5-12-9-3-4-14-7-9/h6,8-9,12H,1-5,7H2.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 224.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 115757871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).