N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide

C12H21N5OS — CID 47414348

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cnns2)CC1
InChIInChI=1S/C12H21N5OS/c1-2-16-6-8-17(9-7-16)5-3-4-13-12(18)11-10-14-15-19-11/h10H,2-9H2,1H3,(H,13,18)
InChIKeyMUTMHYSMUXYHCQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.30
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide (PubChem CID 47414348) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide
PubChem CID47414348
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cnns2)CC1
InChIInChI=1S/C12H21N5OS/c1-2-16-6-8-17(9-7-16)5-3-4-13-12(18)11-10-14-15-19-11/h10H,2-9H2,1H3,(H,13,18)
InChIKeyMUTMHYSMUXYHCQ-UHFFFAOYSA-N
XLogP0.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide (CID 47414348) is N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide is CCN1CCN(CCCNC(=O)c2cnns2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide?
The InChIKey is MUTMHYSMUXYHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-2-16-6-8-17(9-7-16)5-3-4-13-12(18)11-10-14-15-19-11/h10H,2-9H2,1H3,(H,13,18).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47414348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).