N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide

C14H22N4O2S — CID 102736248

IUPACN-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C14H22N4O2S/c1-9(15)13-17-12(8-21-13)14(20)18-5-3-11(4-6-18)7-16-10(2)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,19)
InChIKeyLYOHGBAECNUNBU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.15
Rot. Bonds4

About N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736248) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736248
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C14H22N4O2S/c1-9(15)13-17-12(8-21-13)14(20)18-5-3-11(4-6-18)7-16-10(2)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,19)
InChIKeyLYOHGBAECNUNBU-UHFFFAOYSA-N
XLogP1.15
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
CID 66388714
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propylazepan-1-yl)methanone
CID 66390338
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
N-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 66388122
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 66388121
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388405
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide (CID 102736248) is N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2csc(C(C)N)n2)CC1.
What is the InChIKey of N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is LYOHGBAECNUNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9(15)13-17-12(8-21-13)14(20)18-5-3-11(4-6-18)7-16-10(2)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,19).
What are the key properties of N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).