N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C14H24N2O3S — CID 62520675

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(CC)(CO)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C14H24N2O3S/c1-4-14(5-2,10-17)15-12(18)7-6-8-16-11(3)9-20-13(16)19/h9,17H,4-8,10H2,1-3H3,(H,15,18)
InChIKeyHAKPJWNRXFHEHB-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.67
Rot. Bonds8

About N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 62520675) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID62520675
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(CC)(CO)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C14H24N2O3S/c1-4-14(5-2,10-17)15-12(18)7-6-8-16-11(3)9-20-13(16)19/h9,17H,4-8,10H2,1-3H3,(H,15,18)
InChIKeyHAKPJWNRXFHEHB-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-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 62520675) is N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCC(CC)(CO)NC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is HAKPJWNRXFHEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-14(5-2,10-17)15-12(18)7-6-8-16-11(3)9-20-13(16)19/h9,17H,4-8,10H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[3-(hydroxymethyl)pentan-3-yl]-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-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 62520675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).