N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide

C12H22N4OS — CID 65271233

IUPACN,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1nc(C(C)C)ns1
InChIInChI=1S/C12H22N4OS/c1-5-16(6-2)10(17)7-8-13-12-14-11(9(3)4)15-18-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyQOIJDRISCIPNPU-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.33
Rot. Bonds7

About N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide

N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65271233) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65271233
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1nc(C(C)C)ns1
InChIInChI=1S/C12H22N4OS/c1-5-16(6-2)10(17)7-8-13-12-14-11(9(3)4)15-18-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyQOIJDRISCIPNPU-UHFFFAOYSA-N
XLogP2.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65271233) is N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is CCN(CC)C(=O)CCNc1nc(C(C)C)ns1.
What is the InChIKey of N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is QOIJDRISCIPNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-16(6-2)10(17)7-8-13-12-14-11(9(3)4)15-18-12/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 270.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65271233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).