N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C17H24N6OS — CID 135089946

IUPACN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ncsc1CCCNC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H24N6OS/c1-14-15(25-13-21-14)4-2-5-18-16(24)12-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h3,6-7,13H,2,4-5,8-12H2,1H3,(H,18,24)
InChIKeyOGYLCJNDAHLQMB-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.11
Rot. Bonds7

About N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 135089946) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID135089946
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ncsc1CCCNC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H24N6OS/c1-14-15(25-13-21-14)4-2-5-18-16(24)12-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h3,6-7,13H,2,4-5,8-12H2,1H3,(H,18,24)
InChIKeyOGYLCJNDAHLQMB-UHFFFAOYSA-N
XLogP1.11
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 90650982
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8595884
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72884894
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72933578
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72917320

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 135089946) is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is Cc1ncsc1CCCNC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is OGYLCJNDAHLQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-14-15(25-13-21-14)4-2-5-18-16(24)12-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h3,6-7,13H,2,4-5,8-12H2,1H3,(H,18,24).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 360.49 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135089946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).