N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine

C11H21N3S — CID 107844668

IUPACN'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
SMILESCc1nc(NCCCCCCN)sc1C
InChIInChI=1S/C11H21N3S/c1-9-10(2)15-11(14-9)13-8-6-4-3-5-7-12/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyIVMYFZLNEQCQEP-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.69
Rot. Bonds7

About N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine

N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine (PubChem CID 107844668) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
PubChem CID107844668
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
SMILESCc1nc(NCCCCCCN)sc1C
InChIInChI=1S/C11H21N3S/c1-9-10(2)15-11(14-9)13-8-6-4-3-5-7-12/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyIVMYFZLNEQCQEP-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
CID 115691855
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60642086
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 115691858
2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde
CID 174483066
4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 65169271
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
CID 83204866
N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride
CID 18948824
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65169595

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine?
The IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine (CID 107844668) is N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine is Cc1nc(NCCCCCCN)sc1C.
What is the InChIKey of N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine?
The InChIKey is IVMYFZLNEQCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9-10(2)15-11(14-9)13-8-6-4-3-5-7-12/h3-8,12H2,1-2H3,(H,13,14).
What are the key properties of N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine?
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine has a molecular weight of 227.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 107844668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).