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

C16H31N3OS — CID 62768729

IUPAC5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOCCN(CC(C)C)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-12(2)11-19(8-9-20-7)15-18-13(3)14(21-15)10-17-16(4,5)6/h12,17H,8-11H2,1-7H3
InChIKeyUMVMFPGTEMGWPL-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.45
Rot. Bonds8

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

5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 62768729) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID62768729
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOCCN(CC(C)C)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-12(2)11-19(8-9-20-7)15-18-13(3)14(21-15)10-17-16(4,5)6/h12,17H,8-11H2,1-7H3
InChIKeyUMVMFPGTEMGWPL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382199
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62769254
N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903
N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62766866
5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766541
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 102767997
N-[[2-(1-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730581
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730576
2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750121

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 62768729) is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is COCCN(CC(C)C)c1nc(C)c(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is UMVMFPGTEMGWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-12(2)11-19(8-9-20-7)15-18-13(3)14(21-15)10-17-16(4,5)6/h12,17H,8-11H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.45, 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-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).