5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine

C17H33N3S — CID 79488830

IUPAC5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CC(C)C)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C17H33N3S/c1-8-13(9-2)20(11-12(3)4)16-19-15(17(5,6)7)14(10-18)21-16/h12-13H,8-11,18H2,1-7H3
InChIKeyYIHNUDZMMXPDSZ-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.55
Rot. Bonds7

About 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 79488830) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID79488830
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CC(C)C)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C17H33N3S/c1-8-13(9-2)20(11-12(3)4)16-19-15(17(5,6)7)14(10-18)21-16/h12-13H,8-11,18H2,1-7H3
InChIKeyYIHNUDZMMXPDSZ-UHFFFAOYSA-N
XLogP4.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-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-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62768860
4-tert-butyl-5-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62768452
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489574
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62769416
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62769108
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
CID 62768652
[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117715
N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62767959
[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780003
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768020
[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62768709

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine (CID 79488830) is 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(CC(C)C)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is YIHNUDZMMXPDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-8-13(9-2)20(11-12(3)4)16-19-15(17(5,6)7)14(10-18)21-16/h12-13H,8-11,18H2,1-7H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 311.54 g/mol, XLogP of 4.55, 7 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-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79488830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).