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

C17H25N3S — CID 62764849

IUPACN-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)Cc2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C17H25N3S/c1-17(2,3)15-14(11-18-4)21-16(19-15)20(5)12-13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3
InChIKeyOKKFBWCRCOJPCS-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.80
Rot. Bonds5

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

N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62764849) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62764849
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)Cc2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C17H25N3S/c1-17(2,3)15-14(11-18-4)21-16(19-15)20(5)12-13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3
InChIKeyOKKFBWCRCOJPCS-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117474
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 65486953
N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62779800
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362289
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
N-methyl-5-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62780134

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 62764849) is N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CNCc1sc(N(C)Cc2ccccc2)nc1C(C)(C)C.
What is the InChIKey of N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is OKKFBWCRCOJPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-17(2,3)15-14(11-18-4)21-16(19-15)20(5)12-13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3.
What are the key properties of N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62764849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).