N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine

C13H23N3OS — CID 64543178

IUPACN-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C13H23N3OS/c1-10(14-2)12-9-18-13(15-12)16(3)8-11-4-6-17-7-5-11/h9-11,14H,4-8H2,1-3H3
InChIKeyYWIHMPNWJYDSKM-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine

N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 64543178) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID64543178
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C13H23N3OS/c1-10(14-2)12-9-18-13(15-12)16(3)8-11-4-6-17-7-5-11/h9-11,14H,4-8H2,1-3H3
InChIKeyYWIHMPNWJYDSKM-UHFFFAOYSA-N
XLogP2.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (CID 64543178) is N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is CNC(C)c1csc(N(C)CC2CCOCC2)n1.
What is the InChIKey of N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is YWIHMPNWJYDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(14-2)12-9-18-13(15-12)16(3)8-11-4-6-17-7-5-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64543178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).