4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

C10H16ClN5OS — CID 37206295

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H16ClN5OS/c1-14(2)10(17)16-5-3-15(4-6-16)7-8-9(11)18-13-12-8/h3-7H2,1-2H3
InChIKeyFPPIQPHOKJDNAR-UHFFFAOYSA-N
MW289.79 g/mol
LogP0.99
Rot. Bonds2

About 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 37206295) has the molecular formula C10H16ClN5OS and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID37206295
Molecular FormulaC10H16ClN5OS
Molecular Weight289.79 g/mol
Exact Mass289.08
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H16ClN5OS/c1-14(2)10(17)16-5-3-15(4-6-16)7-8-9(11)18-13-12-8/h3-7H2,1-2H3
InChIKeyFPPIQPHOKJDNAR-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 37206295) is 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is FPPIQPHOKJDNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5OS/c1-14(2)10(17)16-5-3-15(4-6-16)7-8-9(11)18-13-12-8/h3-7H2,1-2H3.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 289.79 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 37206295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).