3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C11H18N6O2S — CID 47263455

IUPAC3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCCC(CNC(N)=O)C2)s1
InChIInChI=1S/C11H18N6O2S/c1-7-15-16-10(20-7)14-11(19)17-4-2-3-8(6-17)5-13-9(12)18/h8H,2-6H2,1H3,(H3,12,13,18)(H,14,16,19)
InChIKeyMKMCIFIAWXFUOO-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.76
Rot. Bonds3

About 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 47263455) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID47263455
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCCC(CNC(N)=O)C2)s1
InChIInChI=1S/C11H18N6O2S/c1-7-15-16-10(20-7)14-11(19)17-4-2-3-8(6-17)5-13-9(12)18/h8H,2-6H2,1H3,(H3,12,13,18)(H,14,16,19)
InChIKeyMKMCIFIAWXFUOO-UHFFFAOYSA-N
XLogP0.76
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 47263455) is 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is Cc1nnc(NC(=O)N2CCCC(CNC(N)=O)C2)s1.
What is the InChIKey of 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is MKMCIFIAWXFUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-7-15-16-10(20-7)14-11(19)17-4-2-3-8(6-17)5-13-9(12)18/h8H,2-6H2,1H3,(H3,12,13,18)(H,14,16,19).
What are the key properties of 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47263455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).