5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H26N2S — CID 107153709

IUPAC5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC(C)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H26N2S/c1-6-7-10(2)15-12-14-9-11(16-12)8-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeySVVIFERKBKNDOR-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.67
Rot. Bonds4

About 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153709) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153709
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC(C)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H26N2S/c1-6-7-10(2)15-12-14-9-11(16-12)8-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeySVVIFERKBKNDOR-UHFFFAOYSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107153709) is 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCCC(C)NC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SVVIFERKBKNDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-6-7-10(2)15-12-14-9-11(16-12)8-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).