4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C11H22N2S — CID 43440175

IUPAC4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CC(C)C)=N1
InChIInChI=1S/C11H22N2S/c1-5-10-7-14-11(13-10)12-9(4)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyRTFWKLFYPHARCK-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.89
Rot. Bonds4

About 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440175) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440175
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)CC(C)C)=N1
InChIInChI=1S/C11H22N2S/c1-5-10-7-14-11(13-10)12-9(4)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyRTFWKLFYPHARCK-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43440175) is 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)CC(C)C)=N1.
What is the InChIKey of 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RTFWKLFYPHARCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-5-10-7-14-11(13-10)12-9(4)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).