2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide

C18H28N4O2S — CID 126803496

IUPAC2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1CCCCN1Cc1csc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C18H28N4O2S/c1-3-19-17(24)10-16-6-4-5-9-21(16)11-14-12-25-18(20-14)22(13(2)23)15-7-8-15/h12,15-16H,3-11H2,1-2H3,(H,19,24)
InChIKeyLGZKOQSLZHENCJ-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.54
Rot. Bonds7

About 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide

2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide (PubChem CID 126803496) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
PubChem CID126803496
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1CCCCN1Cc1csc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C18H28N4O2S/c1-3-19-17(24)10-16-6-4-5-9-21(16)11-14-12-25-18(20-14)22(13(2)23)15-7-8-15/h12,15-16H,3-11H2,1-2H3,(H,19,24)
InChIKeyLGZKOQSLZHENCJ-UHFFFAOYSA-N
XLogP2.54
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 111336050
methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79545913
methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62026007
N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 111442466
N-cyclopropyl-N-[4-[(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 136537355
N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344059
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
N-ethyl-2-[1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]piperidin-2-yl]acetamide
CID 126798445
N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95769661

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide?
The IUPAC name of 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide (CID 126803496) is 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide is CCNC(=O)CC1CCCCN1Cc1csc(N(C(C)=O)C2CC2)n1.
What is the InChIKey of 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide?
The InChIKey is LGZKOQSLZHENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-3-19-17(24)10-16-6-4-5-9-21(16)11-14-12-25-18(20-14)22(13(2)23)15-7-8-15/h12,15-16H,3-11H2,1-2H3,(H,19,24).
What are the key properties of 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide?
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide has a molecular weight of 364.52 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide is sourced from PubChem (CID 126803496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).