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

C17H27N3O2S — CID 56741068

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1nc(C(C)N(C)C(=O)CCN2CCCCCC2=O)c(C)s1
InChIInChI=1S/C17H27N3O2S/c1-12(17-13(2)23-14(3)18-17)19(4)15(21)9-11-20-10-7-5-6-8-16(20)22/h12H,5-11H2,1-4H3
InChIKeyDCAUKTOKGQHESN-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.07
Rot. Bonds5

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 56741068) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
PubChem CID56741068
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1nc(C(C)N(C)C(=O)CCN2CCCCCC2=O)c(C)s1
InChIInChI=1S/C17H27N3O2S/c1-12(17-13(2)23-14(3)18-17)19(4)15(21)9-11-20-10-7-5-6-8-16(20)22/h12H,5-11H2,1-4H3
InChIKeyDCAUKTOKGQHESN-UHFFFAOYSA-N
XLogP3.07
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide (CID 56741068) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide is Cc1nc(C(C)N(C)C(=O)CCN2CCCCCC2=O)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is DCAUKTOKGQHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12(17-13(2)23-14(3)18-17)19(4)15(21)9-11-20-10-7-5-6-8-16(20)22/h12H,5-11H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 337.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 56741068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).