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

C11H19N5OS — CID 62178239

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCNc1snnc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H19N5OS/c1-2-13-11-9(14-15-18-11)7-16-5-3-4-8(6-16)10(12)17/h8,13H,2-7H2,1H3,(H2,12,17)
InChIKeyRVQWSHLNOUDNQD-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.67
Rot. Bonds5

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

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 62178239) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID62178239
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCNc1snnc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H19N5OS/c1-2-13-11-9(14-15-18-11)7-16-5-3-4-8(6-16)10(12)17/h8,13H,2-7H2,1H3,(H2,12,17)
InChIKeyRVQWSHLNOUDNQD-UHFFFAOYSA-N
XLogP0.67
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide (CID 62178239) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide is CCNc1snnc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is RVQWSHLNOUDNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-2-13-11-9(14-15-18-11)7-16-5-3-4-8(6-16)10(12)17/h8,13H,2-7H2,1H3,(H2,12,17).
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 62178239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).