5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine

C10H18N2S — CID 130517381

IUPAC5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(c1cnc(N)s1)C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)9(7(3)4)8-5-12-10(11)13-8/h5-7,9H,1-4H3,(H2,11,12)
InChIKeyWCCHXSXQVRLLEB-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.12
Rot. Bonds3

About 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine

5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine (PubChem CID 130517381) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
PubChem CID130517381
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(c1cnc(N)s1)C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)9(7(3)4)8-5-12-10(11)13-8/h5-7,9H,1-4H3,(H2,11,12)
InChIKeyWCCHXSXQVRLLEB-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-propan-2-yl-1,3-thiazol-2-amine
CID 178111483
5-(1-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 87904323
ethane;5-heptan-3-yl-1,3-thiazol-2-amine
CID 156888648
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574
(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol
CID 114058083
2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole
CID 140919580
5-N-methyl-1,3-thiazole-2,5-diamine
CID 142305801
(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
CID 113370193
ethane;5-phenyl-1,3-thiazol-2-amine
CID 142092018
5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 131701578
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine (CID 130517381) is 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine is CC(C)C(c1cnc(N)s1)C(C)C.
What is the InChIKey of 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is WCCHXSXQVRLLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-6(2)9(7(3)4)8-5-12-10(11)13-8/h5-7,9H,1-4H3,(H2,11,12).
What are the key properties of 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130517381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).