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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Related Compounds

N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62769254
4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107509953
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509708
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509659
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 107509600
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 107510227

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).