4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C13H25N3OS — CID 55117474

IUPAC4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)CCOC)nc1C(C)(C)C
InChIInChI=1S/C13H25N3OS/c1-13(2,3)11-10(9-14-4)18-12(15-11)16(5)7-8-17-6/h14H,7-9H2,1-6H3
InChIKeyKBLMGNMAMQPANY-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.24
Rot. Bonds6

About 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 55117474) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID55117474
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)CCOC)nc1C(C)(C)C
InChIInChI=1S/C13H25N3OS/c1-13(2,3)11-10(9-14-4)18-12(15-11)16(5)7-8-17-6/h14H,7-9H2,1-6H3
InChIKeyKBLMGNMAMQPANY-UHFFFAOYSA-N
XLogP2.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62764685
N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55113145
4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117420
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62764849
4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767731
4-tert-butyl-5-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62768452
N,4-dimethyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067225
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940
N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62767699
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767757
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480752

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 55117474) is 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CNCc1sc(N(C)CCOC)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is KBLMGNMAMQPANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-13(2,3)11-10(9-14-4)18-12(15-11)16(5)7-8-17-6/h14H,7-9H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).