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

C10H18N4OS — CID 65271172

IUPACN,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCC(C)c1nsc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-7(2)9-12-10(16-13-9)11-6-5-8(15)14(3)4/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyQFGXDISDCVDCCH-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.55
Rot. Bonds5

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

N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65271172) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65271172
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCC(C)c1nsc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-7(2)9-12-10(16-13-9)11-6-5-8(15)14(3)4/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyQFGXDISDCVDCCH-UHFFFAOYSA-N
XLogP1.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65271172) is N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is CC(C)c1nsc(NCCC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is QFGXDISDCVDCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)9-12-10(16-13-9)11-6-5-8(15)14(3)4/h7H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 242.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65271172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).