N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H21N3O2S2 — CID 56782366

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)CCn2c(C)csc2=O)s1
InChIInChI=1S/C15H21N3O2S2/c1-9-8-21-15(20)18(9)7-6-13(19)17(5)11(3)14-10(2)16-12(4)22-14/h8,11H,6-7H2,1-5H3
InChIKeyNEDSMWQDPFHHHL-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 56782366) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID56782366
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)CCn2c(C)csc2=O)s1
InChIInChI=1S/C15H21N3O2S2/c1-9-8-21-15(20)18(9)7-6-13(19)17(5)11(3)14-10(2)16-12(4)22-14/h8,11H,6-7H2,1-5H3
InChIKeyNEDSMWQDPFHHHL-UHFFFAOYSA-N
XLogP2.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 56782366) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1nc(C)c(C(C)N(C)C(=O)CCn2c(C)csc2=O)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is NEDSMWQDPFHHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-9-8-21-15(20)18(9)7-6-13(19)17(5)11(3)14-10(2)16-12(4)22-14/h8,11H,6-7H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 339.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 56782366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).