N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C17H23N5OS — CID 99713896

IUPACN-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1csc([C@@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-13-12-24-16(19-13)14(2)20-17(23)22-9-7-21(8-10-22)11-15-5-3-4-6-18-15/h3-6,12,14H,7-11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyFGSQMUQZDSCGFI-CQSZACIVSA-N
MW345.47 g/mol
LogP2.43
Rot. Bonds4

About N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 99713896) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID99713896
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1csc([C@@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-13-12-24-16(19-13)14(2)20-17(23)22-9-7-21(8-10-22)11-15-5-3-4-6-18-15/h3-6,12,14H,7-11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyFGSQMUQZDSCGFI-CQSZACIVSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797413
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97073669
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 94054984
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036008
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 99713896) is N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is Cc1csc([C@@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FGSQMUQZDSCGFI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-12-24-16(19-13)14(2)20-17(23)22-9-7-21(8-10-22)11-15-5-3-4-6-18-15/h3-6,12,14H,7-11H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 99713896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).