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

C12H23N3OS — CID 62753971

IUPAC5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCN(C)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C12H23N3OS/c1-12(2,3)14-9-10-8-13-11(17-10)15(4)6-7-16-5/h8,14H,6-7,9H2,1-5H3
InChIKeyVPMKREPEMXLREI-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.11
Rot. Bonds6

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

5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62753971) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62753971
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCN(C)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C12H23N3OS/c1-12(2,3)14-9-10-8-13-11(17-10)15(4)6-7-16-5/h8,14H,6-7,9H2,1-5H3
InChIKeyVPMKREPEMXLREI-UHFFFAOYSA-N
XLogP2.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62753806
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
N-(3-methoxypropyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63009419
5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 105418273
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753296
5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753605
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112407
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752566
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
CID 55112108
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82966301
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752523

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine (CID 62753971) is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine is COCCN(C)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is VPMKREPEMXLREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-12(2,3)14-9-10-8-13-11(17-10)15(4)6-7-16-5/h8,14H,6-7,9H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62753971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).