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

C12H20N2O3S — CID 62333881

IUPACN-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(C)CC(C)O
InChIInChI=1S/C12H20N2O3S/c1-9-8-18-12(17)14(9)6-4-5-11(16)13(3)7-10(2)15/h8,10,15H,4-7H2,1-3H3
InChIKeyAVRRTQNIPRJUDM-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.84
Rot. Bonds6

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

N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 62333881) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID62333881
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(C)CC(C)O
InChIInChI=1S/C12H20N2O3S/c1-9-8-18-12(17)14(9)6-4-5-11(16)13(3)7-10(2)15/h8,10,15H,4-7H2,1-3H3
InChIKeyAVRRTQNIPRJUDM-UHFFFAOYSA-N
XLogP0.84
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 62333881) is N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is AVRRTQNIPRJUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-8-18-12(17)14(9)6-4-5-11(16)13(3)7-10(2)15/h8,10,15H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 272.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 62333881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).