5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine

C17H25N3S — CID 62768709

IUPAC5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCCN(c1cccc(C)c1)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C17H25N3S/c1-6-20(13-9-7-8-12(2)10-13)16-19-15(17(3,4)5)14(11-18)21-16/h7-10H,6,11,18H2,1-5H3
InChIKeyWJZPURKNHCGPDN-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.37
Rot. Bonds4

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

5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 62768709) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID62768709
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCCN(c1cccc(C)c1)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C17H25N3S/c1-6-20(13-9-7-8-12(2)10-13)16-19-15(17(3,4)5)14(11-18)21-16/h7-10H,6,11,18H2,1-5H3
InChIKeyWJZPURKNHCGPDN-UHFFFAOYSA-N
XLogP4.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 62768709) is 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine is CCN(c1cccc(C)c1)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is WJZPURKNHCGPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-6-20(13-9-7-8-12(2)10-13)16-19-15(17(3,4)5)14(11-18)21-16/h7-10H,6,11,18H2,1-5H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).