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

C13H22N4OS — CID 115879016

IUPACN-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC(C)c2cscn2)CC1
InChIInChI=1S/C13H22N4OS/c1-10(12-8-19-9-15-12)16-11-3-5-17(6-4-11)7-13(18)14-2/h8-11,16H,3-7H2,1-2H3,(H,14,18)
InChIKeyVQNFUKSQPIFCQL-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.00
Rot. Bonds5

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

N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide (PubChem CID 115879016) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide
PubChem CID115879016
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC(C)c2cscn2)CC1
InChIInChI=1S/C13H22N4OS/c1-10(12-8-19-9-15-12)16-11-3-5-17(6-4-11)7-13(18)14-2/h8-11,16H,3-7H2,1-2H3,(H,14,18)
InChIKeyVQNFUKSQPIFCQL-UHFFFAOYSA-N
XLogP1.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
CID 103881440
1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine
CID 115879255
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 62536800
2-[4-[1-(1,3-thiazol-5-yl)ethylamino]piperidin-1-yl]acetamide
CID 113260068
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
CID 43691450
1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115878917
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
2-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]acetamide
CID 43746847
2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
CID 81297527
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-2-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393445
2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 115891364

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide (CID 115879016) is N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(NC(C)c2cscn2)CC1.
What is the InChIKey of N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
The InChIKey is VQNFUKSQPIFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10(12-8-19-9-15-12)16-11-3-5-17(6-4-11)7-13(18)14-2/h8-11,16H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[1-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 115879016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).