N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C16H23N5O2S — CID 91795882

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CCc2scnc2C)C1
InChIInChI=1S/C16H23N5O2S/c1-3-21-14(8-22)19-20-16(21)11-6-12(7-11)18-15(23)5-4-13-10(2)17-9-24-13/h9,11-12,22H,3-8H2,1-2H3,(H,18,23)
InChIKeyFIWWRODNJSRMFZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.55
Rot. Bonds7

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 91795882) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID91795882
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CCc2scnc2C)C1
InChIInChI=1S/C16H23N5O2S/c1-3-21-14(8-22)19-20-16(21)11-6-12(7-11)18-15(23)5-4-13-10(2)17-9-24-13/h9,11-12,22H,3-8H2,1-2H3,(H,18,23)
InChIKeyFIWWRODNJSRMFZ-UHFFFAOYSA-N
XLogP1.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]propanamide
CID 91772869
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91777906
2-[4-(dimethylamino)phenyl]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91783484
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91790584
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 91762851
1-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 125177127
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 91768725
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
CID 91796910
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-methyl-1-benzofuran-5-carboxamide
CID 91785541
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
CID 91786458

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 91795882) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is CCn1c(CO)nnc1C1CC(NC(=O)CCc2scnc2C)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is FIWWRODNJSRMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-21-14(8-22)19-20-16(21)11-6-12(7-11)18-15(23)5-4-13-10(2)17-9-24-13/h9,11-12,22H,3-8H2,1-2H3,(H,18,23).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 91795882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).