5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C16H23N3OS — CID 62766654

IUPAC5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(N(C)c2nc(C(C)(C)C)c(CN)s2)c1
InChIInChI=1S/C16H23N3OS/c1-16(2,3)14-13(10-17)21-15(18-14)19(4)11-7-6-8-12(9-11)20-5/h6-9H,10,17H2,1-5H3
InChIKeyNREPKZLYDNXKGS-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.68
Rot. Bonds4

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

5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62766654) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62766654
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(N(C)c2nc(C(C)(C)C)c(CN)s2)c1
InChIInChI=1S/C16H23N3OS/c1-16(2,3)14-13(10-17)21-15(18-14)19(4)11-7-6-8-12(9-11)20-5/h6-9H,10,17H2,1-5H3
InChIKeyNREPKZLYDNXKGS-UHFFFAOYSA-N
XLogP3.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766697
5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766655
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62769108
[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114360980
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62768709
4-ethyl-N-(3-methoxyphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62767007
2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231344
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 107541879
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 62766654) is 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is COc1cccc(N(C)c2nc(C(C)(C)C)c(CN)s2)c1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NREPKZLYDNXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-16(2,3)14-13(10-17)21-15(18-14)19(4)11-7-6-8-12(9-11)20-5/h6-9H,10,17H2,1-5H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 305.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).