N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide

C10H15N5S — CID 4550409

IUPACN-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
SMILESCNC(=S)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H15N5S/c1-11-10(16)15-7-5-14(6-8-15)9-12-3-2-4-13-9/h2-4H,5-8H2,1H3,(H,11,16)
InChIKeyYJLXDXMBIDEDMT-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.10
Rot. Bonds1

About N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide

N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide (PubChem CID 4550409) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
PubChem CID4550409
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
SMILESCNC(=S)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H15N5S/c1-11-10(16)15-7-5-14(6-8-15)9-12-3-2-4-13-9/h2-4H,5-8H2,1H3,(H,11,16)
InChIKeyYJLXDXMBIDEDMT-UHFFFAOYSA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 2375700
N-[(1R,2S)-2-methylcyclohexyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 8669591
2-methyl-2-(methylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 62835425
1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
CID 2731758
ethane;1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yne-1-thione
CID 90699654
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
methyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]butanoate
CID 9053685
N-[(4-chlorophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 969906
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 98300935
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 2468677
N-(2,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 3710239
N-(5-chloro-2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 1295630

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The IUPAC name of N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CID 4550409) is N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
What is the SMILES notation for N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The canonical SMILES for N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide is CNC(=S)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The InChIKey is YJLXDXMBIDEDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-11-10(16)15-7-5-14(6-8-15)9-12-3-2-4-13-9/h2-4H,5-8H2,1H3,(H,11,16).
What are the key properties of N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide has a molecular weight of 237.33 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 4550409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).