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

C18H25N5O2S — CID 146628922

IUPACN-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(CC2CN(Cc3cnc(NC(C)=O)s3)CCN2C)ccn1
InChIInChI=1S/C18H25N5O2S/c1-13(24)21-18-20-10-16(26-18)12-23-7-6-22(2)15(11-23)8-14-4-5-19-17(9-14)25-3/h4-5,9-10,15H,6-8,11-12H2,1-3H3,(H,20,21,24)
InChIKeyRGDNULMAFMHWMF-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.86
Rot. Bonds6

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

N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146628922) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146628922
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(CC2CN(Cc3cnc(NC(C)=O)s3)CCN2C)ccn1
InChIInChI=1S/C18H25N5O2S/c1-13(24)21-18-20-10-16(26-18)12-23-7-6-22(2)15(11-23)8-14-4-5-19-17(9-14)25-3/h4-5,9-10,15H,6-8,11-12H2,1-3H3,(H,20,21,24)
InChIKeyRGDNULMAFMHWMF-UHFFFAOYSA-N
XLogP1.86
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146628922) is N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cc(CC2CN(Cc3cnc(NC(C)=O)s3)CCN2C)ccn1.
What is the InChIKey of N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RGDNULMAFMHWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-13(24)21-18-20-10-16(26-18)12-23-7-6-22(2)15(11-23)8-14-4-5-19-17(9-14)25-3/h4-5,9-10,15H,6-8,11-12H2,1-3H3,(H,20,21,24).
What are the key properties of N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146628922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).