2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride

C12H17Cl2N5OS — CID 119855733

IUPAC2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1nnc(-c2ccccn2)s1.Cl.Cl
InChIInChI=1S/C12H15N5OS.2ClH/c1-8(7-13-2)10(18)15-12-17-16-11(19-12)9-5-3-4-6-14-9;;/h3-6,8,13H,7H2,1-2H3,(H,15,17,18);2*1H
InChIKeyRTWHWOQSTZISLV-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride (PubChem CID 119855733) has the molecular formula C12H17Cl2N5OS and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
PubChem CID119855733
Molecular FormulaC12H17Cl2N5OS
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC Name2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1nnc(-c2ccccn2)s1.Cl.Cl
InChIInChI=1S/C12H15N5OS.2ClH/c1-8(7-13-2)10(18)15-12-17-16-11(19-12)9-5-3-4-6-14-9;;/h3-6,8,13H,7H2,1-2H3,(H,15,17,18);2*1H
InChIKeyRTWHWOQSTZISLV-UHFFFAOYSA-N
XLogP2.24
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
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(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122050500
2-(2-butan-2-ylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55810418
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 47716587
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
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1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride (CID 119855733) is 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1nnc(-c2ccccn2)s1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride?
The InChIKey is RTWHWOQSTZISLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS.2ClH/c1-8(7-13-2)10(18)15-12-17-16-11(19-12)9-5-3-4-6-14-9;;/h3-6,8,13H,7H2,1-2H3,(H,15,17,18);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride has a molecular weight of 350.28 g/mol, XLogP of 2.24, 5 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-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119855733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).