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

C10H18N2S — CID 130517444

IUPAC4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(c1csc(N)n1)C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)9(7(3)4)8-5-13-10(11)12-8/h5-7,9H,1-4H3,(H2,11,12)
InChIKeyDFRLAWQOEBJSMC-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.12
Rot. Bonds3

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

4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine (PubChem CID 130517444) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
PubChem CID130517444
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(c1csc(N)n1)C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)9(7(3)4)8-5-13-10(11)12-8/h5-7,9H,1-4H3,(H2,11,12)
InChIKeyDFRLAWQOEBJSMC-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

4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-amine
CID 87544194
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
CID 54337328
1-bromo-3-methylbutan-2-one;4-propan-2-yl-1,3-thiazol-2-amine
CID 87581796
(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol
CID 22299017
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301
2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
CID 19761179
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine
CID 82022400

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine (CID 130517444) is 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine is CC(C)C(c1csc(N)n1)C(C)C.
What is the InChIKey of 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is DFRLAWQOEBJSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-6(2)9(7(3)4)8-5-13-10(11)12-8/h5-7,9H,1-4H3,(H2,11,12).
What are the key properties of 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine?
4-(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 4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130517444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).