ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide

C12H22N2OS — CID 143926352

IUPACethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCC.Cc1cnc(C(CC(N)=O)C(C)C)s1
InChIInChI=1S/C10H16N2OS.C2H6/c1-6(2)8(4-9(11)13)10-12-5-7(3)14-10;1-2/h5-6,8H,4H2,1-3H3,(H2,11,13);1-2H3
InChIKeyRVOIQWLTQZOEEI-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.09
Rot. Bonds4

About ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide

ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 143926352) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Nameethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID143926352
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Nameethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCC.Cc1cnc(C(CC(N)=O)C(C)C)s1
InChIInChI=1S/C10H16N2OS.C2H6/c1-6(2)8(4-9(11)13)10-12-5-7(3)14-10;1-2/h5-6,8H,4H2,1-3H3,(H2,11,13);1-2H3
InChIKeyRVOIQWLTQZOEEI-UHFFFAOYSA-N
XLogP3.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide (CID 143926352) is ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide is CC.Cc1cnc(C(CC(N)=O)C(C)C)s1.
What is the InChIKey of ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is RVOIQWLTQZOEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS.C2H6/c1-6(2)8(4-9(11)13)10-12-5-7(3)14-10;1-2/h5-6,8H,4H2,1-3H3,(H2,11,13);1-2H3.
What are the key properties of ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide?
ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 242.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 143926352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).