N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide

C14H24N2O3S — CID 61039797

IUPACN-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)15(8-5-9-17)13(18)6-4-7-16-12(3)10-20-14(16)19/h10-11,17H,4-9H2,1-3H3
InChIKeyLIFGYEHSVLSWIX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.62
Rot. Bonds8

About N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide

N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide (PubChem CID 61039797) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
PubChem CID61039797
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)15(8-5-9-17)13(18)6-4-7-16-12(3)10-20-14(16)19/h10-11,17H,4-9H2,1-3H3
InChIKeyLIFGYEHSVLSWIX-UHFFFAOYSA-N
XLogP1.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 103915539
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104857315
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 107483113
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43392550
3-[4-[4-(2-Hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
CID 43393814
3-[4-(4-Hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
CID 43393943
N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43417732
N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418044
N-(1-hydroxypropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418731
N-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43500575
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
CID 43573774
N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43577365

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide (CID 61039797) is N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide is Cc1csc(=O)n1CCCC(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The InChIKey is LIFGYEHSVLSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)15(8-5-9-17)13(18)6-4-7-16-12(3)10-20-14(16)19/h10-11,17H,4-9H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide has a molecular weight of 300.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 61039797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).