N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide

C12H20N4O2S — CID 103384866

IUPACN-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide
SMILESCOc1c(N)nsc1N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C12H20N4O2S/c1-8(17)14-7-9-3-5-16(6-4-9)12-10(18-2)11(13)15-19-12/h9H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyPZPMTUSAVJYNHE-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.09
Rot. Bonds4

About N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 103384866) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide
PubChem CID103384866
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide
SMILESCOc1c(N)nsc1N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C12H20N4O2S/c1-8(17)14-7-9-3-5-16(6-4-9)12-10(18-2)11(13)15-19-12/h9H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyPZPMTUSAVJYNHE-UHFFFAOYSA-N
XLogP1.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
CID 103380881
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381799
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879
N-[[1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737052
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 103362018
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-1,2-thiazol-3-amine
CID 103381022

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide (CID 103384866) is N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide is COc1c(N)nsc1N1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is PZPMTUSAVJYNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8(17)14-7-9-3-5-16(6-4-9)12-10(18-2)11(13)15-19-12/h9H,3-7H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 103384866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).