N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine

C13H24N2S — CID 115717931

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1csc(C(C)C)n1
InChIInChI=1S/C13H24N2S/c1-5-6-7-11(4)14-8-12-9-16-13(15-12)10(2)3/h9-11,14H,5-8H2,1-4H3
InChIKeyFGYGCFPZMMKULR-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.93
Rot. Bonds7

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine (PubChem CID 115717931) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
PubChem CID115717931
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1csc(C(C)C)n1
InChIInChI=1S/C13H24N2S/c1-5-6-7-11(4)14-8-12-9-16-13(15-12)10(2)3/h9-11,14H,5-8H2,1-4H3
InChIKeyFGYGCFPZMMKULR-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-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

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947
2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
CID 11622565
alpha-Methyl-2-(1-methylethyl)-4-thiazolemethanamine
CID 21667605
4-Methyl-2-(pyrrolidin-2-yl)-1,3-thiazole
CID 22256522

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine (CID 115717931) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine is CCCCC(C)NCc1csc(C(C)C)n1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine?
The InChIKey is FGYGCFPZMMKULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-6-7-11(4)14-8-12-9-16-13(15-12)10(2)3/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine is sourced from PubChem (CID 115717931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).