4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine

C15H29N3OS — CID 107509950

IUPAC4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(C)C)CC(C)C)nc1COC
InChIInChI=1S/C15H29N3OS/c1-11(2)8-18(9-12(3)4)15-17-13(10-19-6)14(20-15)7-16-5/h11-12,16H,7-10H2,1-6H3
InChIKeyVAFZJBXOMMDLMA-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.13
Rot. Bonds9

About 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine

4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 107509950) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID107509950
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(C)C)CC(C)C)nc1COC
InChIInChI=1S/C15H29N3OS/c1-11(2)8-18(9-12(3)4)15-17-13(10-19-6)14(20-15)7-16-5/h11-12,16H,7-10H2,1-6H3
InChIKeyVAFZJBXOMMDLMA-UHFFFAOYSA-N
XLogP3.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine (CID 107509950) is 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine is CNCc1sc(N(CC(C)C)CC(C)C)nc1COC.
What is the InChIKey of 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is VAFZJBXOMMDLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-11(2)8-18(9-12(3)4)15-17-13(10-19-6)14(20-15)7-16-5/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine?
4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 299.48 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).