N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H25N5OS — CID 146628936

IUPACN-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(C)[C@H](Cc3ccnc(C)c3)C2)s1
InChIInChI=1S/C18H25N5OS/c1-13-8-15(4-5-19-13)9-16-11-23(7-6-22(16)3)12-17-10-20-18(25-17)21-14(2)24/h4-5,8,10,16H,6-7,9,11-12H2,1-3H3,(H,20,21,24)/t16-/m1/s1
InChIKeyANMJKGILRRDWIX-MRXNPFEDSA-N
MW359.50 g/mol
LogP2.16
Rot. Bonds5

About N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146628936) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146628936
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(C)[C@H](Cc3ccnc(C)c3)C2)s1
InChIInChI=1S/C18H25N5OS/c1-13-8-15(4-5-19-13)9-16-11-23(7-6-22(16)3)12-17-10-20-18(25-17)21-14(2)24/h4-5,8,10,16H,6-7,9,11-12H2,1-3H3,(H,20,21,24)/t16-/m1/s1
InChIKeyANMJKGILRRDWIX-MRXNPFEDSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628922
N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 163814299
N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 174192801
N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 174193026
N-[5-[[6-[(2-methoxy-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629080
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135119
1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol
CID 146664786
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103918
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146628936) is N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCN(C)[C@H](Cc3ccnc(C)c3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ANMJKGILRRDWIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-8-15(4-5-19-13)9-16-11-23(7-6-22(16)3)12-17-10-20-18(25-17)21-14(2)24/h4-5,8,10,16H,6-7,9,11-12H2,1-3H3,(H,20,21,24)/t16-/m1/s1.
What are the key properties of N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146628936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).