N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C14H24N2O3S — CID 103712921

IUPACN-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCCC(C)(O)CNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C14H24N2O3S/c1-4-7-14(3,19)10-15-12(17)6-5-8-16-11(2)9-20-13(16)18/h9,19H,4-8,10H2,1-3H3,(H,15,17)
InChIKeyKDLJDWQDFXUSSJ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.67
Rot. Bonds8

About N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 103712921) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID103712921
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCCC(C)(O)CNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C14H24N2O3S/c1-4-7-14(3,19)10-15-12(17)6-5-8-16-11(2)9-20-13(16)18/h9,19H,4-8,10H2,1-3H3,(H,15,17)
InChIKeyKDLJDWQDFXUSSJ-UHFFFAOYSA-N
XLogP1.67
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 103712921) is N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCCC(C)(O)CNC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is KDLJDWQDFXUSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-7-14(3,19)10-15-12(17)6-5-8-16-11(2)9-20-13(16)18/h9,19H,4-8,10H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 300.42 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 103712921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).