N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H24N6OS — CID 56802704

IUPACN-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCCCC2Cn2cncn2)cs1
InChIInChI=1S/C16H24N6OS/c1-3-22(13(2)23)16-19-14(10-24-16)8-20-7-5-4-6-15(20)9-21-12-17-11-18-21/h10-12,15H,3-9H2,1-2H3
InChIKeyQJURRYHISYXXQW-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.16
Rot. Bonds6

About N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56802704) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56802704
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCCCC2Cn2cncn2)cs1
InChIInChI=1S/C16H24N6OS/c1-3-22(13(2)23)16-19-14(10-24-16)8-20-7-5-4-6-15(20)9-21-12-17-11-18-21/h10-12,15H,3-9H2,1-2H3
InChIKeyQJURRYHISYXXQW-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72143074
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 37845262
N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 47461018
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53506599
3-Methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 53509958
N,N-dimethyl-2-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53583185
N-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53587787
N-methyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53589778
N,N-dimethyl-2-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607213
N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53609870
3-Methyl-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 53610067
4-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 53613920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 56802704) is N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN2CCCCC2Cn2cncn2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QJURRYHISYXXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-3-22(13(2)23)16-19-14(10-24-16)8-20-7-5-4-6-15(20)9-21-12-17-11-18-21/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 348.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56802704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).