N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine

C11H20N2S — CID 170098031

IUPACN-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
SMILESCCC(C)(C)CCCNc1nccs1
InChIInChI=1S/C11H20N2S/c1-4-11(2,3)6-5-7-12-10-13-8-9-14-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyIQFDESPDXLRKRG-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.77
Rot. Bonds6

About N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine

N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine (PubChem CID 170098031) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
PubChem CID170098031
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
SMILESCCC(C)(C)CCCNc1nccs1
InChIInChI=1S/C11H20N2S/c1-4-11(2,3)6-5-7-12-10-13-8-9-14-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyIQFDESPDXLRKRG-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819
N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115579999
2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
CID 106155364
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine (CID 170098031) is N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine is CCC(C)(C)CCCNc1nccs1.
What is the InChIKey of N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine?
The InChIKey is IQFDESPDXLRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-11(2,3)6-5-7-12-10-13-8-9-14-10/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine?
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 170098031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).