4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine

C13H26N2S — CID 106330139

IUPAC4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(NC(C)(CC)CC)=N1
InChIInChI=1S/C13H26N2S/c1-6-12(5,7-2)14-11-15-13(8-3,9-4)10-16-11/h6-10H2,1-5H3,(H,14,15)
InChIKeyHCZSBHXAHZOPBK-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.82
Rot. Bonds5

About 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine

4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine (PubChem CID 106330139) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine
PubChem CID106330139
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(NC(C)(CC)CC)=N1
InChIInChI=1S/C13H26N2S/c1-6-12(5,7-2)14-11-15-13(8-3,9-4)10-16-11/h6-10H2,1-5H3,(H,14,15)
InChIKeyHCZSBHXAHZOPBK-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine (CID 106330139) is 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(NC(C)(CC)CC)=N1.
What is the InChIKey of 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine?
The InChIKey is HCZSBHXAHZOPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-6-12(5,7-2)14-11-15-13(8-3,9-4)10-16-11/h6-10H2,1-5H3,(H,14,15).
What are the key properties of 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine has a molecular weight of 242.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 106330139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).