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

C12H20N2OS — CID 58499291

IUPAC4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCC(C)c1cnc(C(CC(N)=O)C(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-7(2)9(5-11(13)15)12-14-6-10(16-12)8(3)4/h6-9H,5H2,1-4H3,(H2,13,15)
InChIKeyYGFZEERXWYGBOP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.88
Rot. Bonds5

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

4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (PubChem CID 58499291) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
PubChem CID58499291
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCC(C)c1cnc(C(CC(N)=O)C(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-7(2)9(5-11(13)15)12-14-6-10(16-12)8(3)4/h6-9H,5H2,1-4H3,(H2,13,15)
InChIKeyYGFZEERXWYGBOP-UHFFFAOYSA-N
XLogP2.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (CID 58499291) is 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is CC(C)c1cnc(C(CC(N)=O)C(C)C)s1.
What is the InChIKey of 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is YGFZEERXWYGBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-7(2)9(5-11(13)15)12-14-6-10(16-12)8(3)4/h6-9H,5H2,1-4H3,(H2,13,15).
What are the key properties of 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 58499291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).