N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine

C12H20N2OS — CID 115718385

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine
SMILESCc1nc(C)c(CCNC2CCCOC2)s1
InChIInChI=1S/C12H20N2OS/c1-9-12(16-10(2)14-9)5-6-13-11-4-3-7-15-8-11/h11,13H,3-8H2,1-2H3
InChIKeyDSVIHDPWRLKNDO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine (PubChem CID 115718385) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine
PubChem CID115718385
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine
SMILESCc1nc(C)c(CCNC2CCCOC2)s1
InChIInChI=1S/C12H20N2OS/c1-9-12(16-10(2)14-9)5-6-13-11-4-3-7-15-8-11/h11,13H,3-8H2,1-2H3
InChIKeyDSVIHDPWRLKNDO-UHFFFAOYSA-N
XLogP2.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine
CID 115898793
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95617014
ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 71921306
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110395068
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine
CID 172900355
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-3-amine
CID 115896016
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine
CID 122572317
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine (CID 115718385) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine is Cc1nc(C)c(CCNC2CCCOC2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine?
The InChIKey is DSVIHDPWRLKNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-12(16-10(2)14-9)5-6-13-11-4-3-7-15-8-11/h11,13H,3-8H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine has a molecular weight of 240.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 115718385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).