5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine

C16H31N3OS — CID 81064680

IUPAC5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(C(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-8-20-10-9-19(7)15-18-14(12(2)3)13(21-15)11-17-16(4,5)6/h12,17H,8-11H2,1-7H3
InChIKeySCNDRVBDOQTIJC-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.63
Rot. Bonds8

About 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 81064680) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID81064680
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(C(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-8-20-10-9-19(7)15-18-14(12(2)3)13(21-15)11-17-16(4,5)6/h12,17H,8-11H2,1-7H3
InChIKeySCNDRVBDOQTIJC-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-ethoxyethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106815449
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79381144
N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 81068229
5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382199
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 81067888
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 81064681
4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067335
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79382866
N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395047
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 81067220
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (CID 81064680) is 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is CCOCCN(C)c1nc(C(C)C)c(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is SCNDRVBDOQTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-8-20-10-9-19(7)15-18-14(12(2)3)13(21-15)11-17-16(4,5)6/h12,17H,8-11H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.63, 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]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 81064680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).