1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide

C12H21N5OS — CID 55046612

IUPAC1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCCCNc1snnc1CN1CCCCC1C(N)=O
InChIInChI=1S/C12H21N5OS/c1-2-6-14-12-9(15-16-19-12)8-17-7-4-3-5-10(17)11(13)18/h10,14H,2-8H2,1H3,(H2,13,18)
InChIKeyBXVSHIRFGOQVPU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.20
Rot. Bonds6

About 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide

1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 55046612) 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-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide
PubChem CID55046612
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCCCNc1snnc1CN1CCCCC1C(N)=O
InChIInChI=1S/C12H21N5OS/c1-2-6-14-12-9(15-16-19-12)8-17-7-4-3-5-10(17)11(13)18/h10,14H,2-8H2,1H3,(H2,13,18)
InChIKeyBXVSHIRFGOQVPU-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(Propylamino)thiadiazol-4-yl]methyl]azepane-2,7-dione
CID 55044913
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
CID 55044915
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-(2-methylpropyl)amino]acetamide
CID 55046083
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 55046096
1-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 55046127
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpiperidine-3-carboxamide
CID 55046128
N-ethyl-2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]acetamide
CID 55046180
4-[(2-ethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55046211
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55046232
2-[1-[[5-(Methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 55046237
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 55046322
N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046326

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide (CID 55046612) is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide is CCCNc1snnc1CN1CCCCC1C(N)=O.
What is the InChIKey of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is BXVSHIRFGOQVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-2-6-14-12-9(15-16-19-12)8-17-7-4-3-5-10(17)11(13)18/h10,14H,2-8H2,1H3,(H2,13,18).
What are the key properties of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide?
1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.20, 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-2-carboxamide is sourced from PubChem (CID 55046612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).