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

C18H27N5O3S — CID 167925048

IUPACN-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
SMILESCN(C(=O)CC1CCC(=O)N1C)C1CCN(C(=O)Cc2csc(N)n2)CC1
InChIInChI=1S/C18H27N5O3S/c1-21(16(25)10-14-3-4-15(24)22(14)2)13-5-7-23(8-6-13)17(26)9-12-11-27-18(19)20-12/h11,13-14H,3-10H2,1-2H3,(H2,19,20)
InChIKeyCTDXCPNNPXLATH-UHFFFAOYSA-N
MW393.51 g/mol
LogP0.73
Rot. Bonds5

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

N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide (PubChem CID 167925048) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
PubChem CID167925048
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC NameN-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
SMILESCN(C(=O)CC1CCC(=O)N1C)C1CCN(C(=O)Cc2csc(N)n2)CC1
InChIInChI=1S/C18H27N5O3S/c1-21(16(25)10-14-3-4-15(24)22(14)2)13-5-7-23(8-6-13)17(26)9-12-11-27-18(19)20-12/h11,13-14H,3-10H2,1-2H3,(H2,19,20)
InChIKeyCTDXCPNNPXLATH-UHFFFAOYSA-N
XLogP0.73
TPSA99.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 62799786
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
CID 64682031
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 62797698
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one
CID 95719680
2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66371406
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 82547581
2-(2-amino-1,3-thiazol-4-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967422
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
2-(2-amino-1,3-thiazol-4-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62797097
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106586801
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
The IUPAC name of N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide (CID 167925048) is N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
The canonical SMILES for N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide is CN(C(=O)CC1CCC(=O)N1C)C1CCN(C(=O)Cc2csc(N)n2)CC1.
What is the InChIKey of N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
The InChIKey is CTDXCPNNPXLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-21(16(25)10-14-3-4-15(24)22(14)2)13-5-7-23(8-6-13)17(26)9-12-11-27-18(19)20-12/h11,13-14H,3-10H2,1-2H3,(H2,19,20).
What are the key properties of N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide is sourced from PubChem (CID 167925048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).