1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide

C12H21N5OS — CID 62178402

IUPAC1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCCNc1snnc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H21N5OS/c1-2-5-14-12-10(15-16-19-12)8-17-6-3-4-9(7-17)11(13)18/h9,14H,2-8H2,1H3,(H2,13,18)
InChIKeyNTODFMRIGSYRSK-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.06
Rot. Bonds6

About 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide

1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 62178402) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID62178402
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCCNc1snnc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H21N5OS/c1-2-5-14-12-10(15-16-19-12)8-17-6-3-4-9(7-17)11(13)18/h9,14H,2-8H2,1H3,(H2,13,18)
InChIKeyNTODFMRIGSYRSK-UHFFFAOYSA-N
XLogP1.06
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide (CID 62178402) is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide is CCCNc1snnc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is NTODFMRIGSYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-2-5-14-12-10(15-16-19-12)8-17-6-3-4-9(7-17)11(13)18/h9,14H,2-8H2,1H3,(H2,13,18).
What are the key properties of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 62178402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).