N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C15H21N5OS — CID 71878560

IUPACN-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CC(n3cc(C)cn3)C2)cs1
InChIInChI=1S/C15H21N5OS/c1-4-19(12(3)21)15-17-13(10-22-15)7-18-8-14(9-18)20-6-11(2)5-16-20/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyGICHIYGYWYVPFE-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.08
Rot. Bonds5

About N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71878560) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID71878560
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CC(n3cc(C)cn3)C2)cs1
InChIInChI=1S/C15H21N5OS/c1-4-19(12(3)21)15-17-13(10-22-15)7-18-8-14(9-18)20-6-11(2)5-16-20/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyGICHIYGYWYVPFE-UHFFFAOYSA-N
XLogP2.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
CID 120660844
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235
N-ethyl-N-[4-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97028668
N-ethyl-N-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115874190
N-ethyl-N-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 29440898
N-ethyl-N-[4-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95570889
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62054638
N-ethyl-N-[4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71895768
N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 35015644

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 71878560) is N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN2CC(n3cc(C)cn3)C2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GICHIYGYWYVPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-4-19(12(3)21)15-17-13(10-22-15)7-18-8-14(9-18)20-6-11(2)5-16-20/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71878560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).