5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine

C16H31N3OS — CID 107509753

IUPAC5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCC(C)CN(C)c1nc(COC)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-8-12(2)10-19(6)15-18-13(11-20-7)14(21-15)9-17-16(3,4)5/h12,17H,8-11H2,1-7H3
InChIKeyFDTXOHBFJSANBH-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.66
Rot. Bonds8

About 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 107509753) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
PubChem CID107509753
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCC(C)CN(C)c1nc(COC)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-8-12(2)10-19(6)15-18-13(11-20-7)14(21-15)9-17-16(3,4)5/h12,17H,8-11H2,1-7H3
InChIKeyFDTXOHBFJSANBH-UHFFFAOYSA-N
XLogP3.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510895
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79381144
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510170
4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514965
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 107510654
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
N'-[4-(methoxymethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510420
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510728
[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778647
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 62769033

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine (CID 107509753) is 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine is CCC(C)CN(C)c1nc(COC)c(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is FDTXOHBFJSANBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-8-12(2)10-19(6)15-18-13(11-20-7)14(21-15)9-17-16(3,4)5/h12,17H,8-11H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).