2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride

C15H21ClN4OS2 — CID 119766293

IUPAC2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C.Cl
InChIInChI=1S/C15H20N4OS2.ClH/c1-9-7-12(22-15-19-18-11(3)21-15)5-6-13(9)17-14(20)10(2)8-16-4;/h5-7,10,16H,8H2,1-4H3,(H,17,20);1H
InChIKeyDWFURWCPGNNCCD-UHFFFAOYSA-N
MW372.95 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride (PubChem CID 119766293) has the molecular formula C15H21ClN4OS2 and a molecular weight of 372.95 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride
PubChem CID119766293
Molecular FormulaC15H21ClN4OS2
Molecular Weight372.95 g/mol
Exact Mass372.08
IUPAC Name2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C.Cl
InChIInChI=1S/C15H20N4OS2.ClH/c1-9-7-12(22-15-19-18-11(3)21-15)5-6-13(9)17-14(20)10(2)8-16-4;/h5-7,10,16H,8H2,1-4H3,(H,17,20);1H
InChIKeyDWFURWCPGNNCCD-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.95
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride (CID 119766293) is 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride?
The InChIKey is DWFURWCPGNNCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2.ClH/c1-9-7-12(22-15-19-18-11(3)21-15)5-6-13(9)17-14(20)10(2)8-16-4;/h5-7,10,16H,8H2,1-4H3,(H,17,20);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride has a molecular weight of 372.95 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119766293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).