3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide

C13H21N5S — CID 63234371

IUPAC3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide
SMILESCN1CCC(CN(C)c2nccnc2C(N)=S)CC1
InChIInChI=1S/C13H21N5S/c1-17-7-3-10(4-8-17)9-18(2)13-11(12(14)19)15-5-6-16-13/h5-6,10H,3-4,7-9H2,1-2H3,(H2,14,19)
InChIKeyIWCXCOMAOBVKBO-UHFFFAOYSA-N
MW279.41 g/mol
LogP0.89
Rot. Bonds4

About 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide (PubChem CID 63234371) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide
PubChem CID63234371
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide
SMILESCN1CCC(CN(C)c2nccnc2C(N)=S)CC1
InChIInChI=1S/C13H21N5S/c1-17-7-3-10(4-8-17)9-18(2)13-11(12(14)19)15-5-6-16-13/h5-6,10H,3-4,7-9H2,1-2H3,(H2,14,19)
InChIKeyIWCXCOMAOBVKBO-UHFFFAOYSA-N
XLogP0.89
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 63235390
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 63234244
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carbothioamide
CID 63210825
3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
CID 136739462
3-[cyclopropylmethyl(propyl)amino]pyrazine-2-carbothioamide
CID 55103092
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
3-[(1-methylpiperidin-4-yl)amino]pyrazine-2-carbothioamide
CID 55102703
4-(aminomethyl)-N,5,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 63233240
6-chloro-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63729717
5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 104924188
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide (CID 63234371) is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide is CN1CCC(CN(C)c2nccnc2C(N)=S)CC1.
What is the InChIKey of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide?
The InChIKey is IWCXCOMAOBVKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-17-7-3-10(4-8-17)9-18(2)13-11(12(14)19)15-5-6-16-13/h5-6,10H,3-4,7-9H2,1-2H3,(H2,14,19).
What are the key properties of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide?
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 63234371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).