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

C17H25N3S — CID 62769108

IUPAC5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(N(C)c2nc(C(C)(C)C)c(CN)s2)cc1
InChIInChI=1S/C17H25N3S/c1-6-12-7-9-13(10-8-12)20(5)16-19-15(17(2,3)4)14(11-18)21-16/h7-10H,6,11,18H2,1-5H3
InChIKeyDCMQOHZEIBESNX-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.23
Rot. Bonds4

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

5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62769108) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62769108
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(N(C)c2nc(C(C)(C)C)c(CN)s2)cc1
InChIInChI=1S/C17H25N3S/c1-6-12-7-9-13(10-8-12)20(5)16-19-15(17(2,3)4)14(11-18)21-16/h7-10H,6,11,18H2,1-5H3
InChIKeyDCMQOHZEIBESNX-UHFFFAOYSA-N
XLogP4.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-o-tolylthiazol-2-amine
CID 44411322
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
4-tert-butyl-N-(2-isopropylphenyl)thiazol-2-amine
CID 44411266
4-tert-butyl-N-m-tolylthiazol-2-amine
CID 44411325
(4-Methyl-thiazol-2-yl)-p-tolyl-amine
CID 786458
CID 9856506
CID 9856506
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
{5-[(Cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trimethyl-phenyl)-amine
CID 44352448
N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 58624281
N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 89033252
N-(4-Methylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622356

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine (CID 62769108) is 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine is CCc1ccc(N(C)c2nc(C(C)(C)C)c(CN)s2)cc1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DCMQOHZEIBESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-6-12-7-9-13(10-8-12)20(5)16-19-15(17(2,3)4)14(11-18)21-16/h7-10H,6,11,18H2,1-5H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 303.48 g/mol, XLogP of 4.23, 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-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62769108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).