2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C17H17N5OS — CID 122134184

IUPAC2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(C)C(C(=O)Nc1nnc(-c2ccccn2)s1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-22(2)14(12-8-4-3-5-9-12)15(23)19-17-21-20-16(24-17)13-10-6-7-11-18-13/h3-11,14H,1-2H3,(H,19,21,23)
InChIKeyPCHFFHHNECFDMU-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.84
Rot. Bonds5

About 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 122134184) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID122134184
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(C)C(C(=O)Nc1nnc(-c2ccccn2)s1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-22(2)14(12-8-4-3-5-9-12)15(23)19-17-21-20-16(24-17)13-10-6-7-11-18-13/h3-11,14H,1-2H3,(H,19,21,23)
InChIKeyPCHFFHHNECFDMU-UHFFFAOYSA-N
XLogP2.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
2-(diethylamino)-2-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56553192
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 47841065
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
1-(4,5-dimethoxy-2-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 47715749
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133201572
4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167988705
(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122050500

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 122134184) is 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CN(C)C(C(=O)Nc1nnc(-c2ccccn2)s1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PCHFFHHNECFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-22(2)14(12-8-4-3-5-9-12)15(23)19-17-21-20-16(24-17)13-10-6-7-11-18-13/h3-11,14H,1-2H3,(H,19,21,23).
What are the key properties of 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 122134184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).