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

C13H19N3O2S — CID 96577447

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide
SMILESCc1ncsc1CCC(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C13H19N3O2S/c1-9-11(19-8-15-9)5-6-12(17)16-10-4-2-3-7-14-13(10)18/h8,10H,2-7H2,1H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyFMLAGXWYBWAMHC-SNVBAGLBSA-N
MW281.38 g/mol
LogP1.17
Rot. Bonds4

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

3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide (PubChem CID 96577447) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide
PubChem CID96577447
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide
SMILESCc1ncsc1CCC(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C13H19N3O2S/c1-9-11(19-8-15-9)5-6-12(17)16-10-4-2-3-7-14-13(10)18/h8,10H,2-7H2,1H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyFMLAGXWYBWAMHC-SNVBAGLBSA-N
XLogP1.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azepan-2-one
CID 104679671
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 95126957
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide (CID 96577447) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide is Cc1ncsc1CCC(=O)N[C@@H]1CCCCNC1=O.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The InChIKey is FMLAGXWYBWAMHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-11(19-8-15-9)5-6-12(17)16-10-4-2-3-7-14-13(10)18/h8,10H,2-7H2,1H3,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide has a molecular weight of 281.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide is sourced from PubChem (CID 96577447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).