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

C14H22N2O3S — CID 114751204

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC1(CCO)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-9-20-13(19)16(11)7-2-3-12(18)15-10-14(4-5-14)6-8-17/h9,17H,2-8,10H2,1H3,(H,15,18)
InChIKeyIGTSSARQYYZJQR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds8

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

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 114751204) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID114751204
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC1(CCO)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-9-20-13(19)16(11)7-2-3-12(18)15-10-14(4-5-14)6-8-17/h9,17H,2-8,10H2,1H3,(H,15,18)
InChIKeyIGTSSARQYYZJQR-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 61246652
N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 62520675
N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 63298830
N-[(3-hydroxycyclobutyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 66006900
N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 66107121
N-(5-hydroxypentan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 80291716
N-(2-ethyl-4-hydroxybutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 80308173
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 80717411
N-(3-hydroxy-2,2-dimethylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 81648741
N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103725621
N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103782549
N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103825418

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 114751204) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC1(CCO)CC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is IGTSSARQYYZJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-20-13(19)16(11)7-2-3-12(18)15-10-14(4-5-14)6-8-17/h9,17H,2-8,10H2,1H3,(H,15,18).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 114751204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).