N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C11H21ClN4OS — CID 119705899

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nnc(C(C)(C)C)s1.Cl
InChIInChI=1S/C11H20N4OS.ClH/c1-7(6-12-5)8(16)13-10-15-14-9(17-10)11(2,3)4;/h7,12H,6H2,1-5H3,(H,13,15,16);1H
InChIKeyMQMXHPASPGYXOY-UHFFFAOYSA-N
MW292.84 g/mol
LogP2.05
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119705899) has the molecular formula C11H21ClN4OS and a molecular weight of 292.84 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119705899
Molecular FormulaC11H21ClN4OS
Molecular Weight292.84 g/mol
Exact Mass292.11
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nnc(C(C)(C)C)s1.Cl
InChIInChI=1S/C11H20N4OS.ClH/c1-7(6-12-5)8(16)13-10-15-14-9(17-10)11(2,3)4;/h7,12H,6H2,1-5H3,(H,13,15,16);1H
InChIKeyMQMXHPASPGYXOY-UHFFFAOYSA-N
XLogP2.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119705214
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
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N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
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N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-(1,2,4-triazol-4-yl)butanamide
CID 138046702
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 79196071
N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55908575
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 166405074
1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119705865
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119705899) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1nnc(C(C)(C)C)s1.Cl.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is MQMXHPASPGYXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS.ClH/c1-7(6-12-5)8(16)13-10-15-14-9(17-10)11(2,3)4;/h7,12H,6H2,1-5H3,(H,13,15,16);1H.
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 292.84 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119705899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).