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

C12H22N4OS — CID 133485309

IUPACN,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1nc(CC(C)C)ns1
InChIInChI=1S/C12H22N4OS/c1-8(2)6-10-14-12(18-15-10)16(5)7-9(3)11(17)13-4/h8-9H,6-7H2,1-5H3,(H,13,17)
InChIKeyQWKWRSFGPGMIQZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.55
Rot. Bonds6

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

N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 133485309) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID133485309
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1nc(CC(C)C)ns1
InChIInChI=1S/C12H22N4OS/c1-8(2)6-10-14-12(18-15-10)16(5)7-9(3)11(17)13-4/h8-9H,6-7H2,1-5H3,(H,13,17)
InChIKeyQWKWRSFGPGMIQZ-UHFFFAOYSA-N
XLogP1.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
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,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 133485309) is N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CNC(=O)C(C)CN(C)c1nc(CC(C)C)ns1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is QWKWRSFGPGMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-8(2)6-10-14-12(18-15-10)16(5)7-9(3)11(17)13-4/h8-9H,6-7H2,1-5H3,(H,13,17).
What are the key properties of N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 270.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 133485309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).