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

C12H20N2OS — CID 115758035

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine
SMILESCc1nc(C)c(CNC2(C)CCOCC2)s1
InChIInChI=1S/C12H20N2OS/c1-9-11(16-10(2)14-9)8-13-12(3)4-6-15-7-5-12/h13H,4-8H2,1-3H3
InChIKeySWSREXBKCCPDRC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.42
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine (PubChem CID 115758035) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine
PubChem CID115758035
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine
SMILESCc1nc(C)c(CNC2(C)CCOCC2)s1
InChIInChI=1S/C12H20N2OS/c1-9-11(16-10(2)14-9)8-13-12(3)4-6-15-7-5-12/h13H,4-8H2,1-3H3
InChIKeySWSREXBKCCPDRC-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 125438175
N-methyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 103150553
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150554
N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150555
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150556
N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150557
N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150558
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150559
2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150561
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 103150562
2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150563
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103150564

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine (CID 115758035) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine is Cc1nc(C)c(CNC2(C)CCOCC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine?
The InChIKey is SWSREXBKCCPDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-11(16-10(2)14-9)8-13-12(3)4-6-15-7-5-12/h13H,4-8H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine has a molecular weight of 240.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine is sourced from PubChem (CID 115758035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).