(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

C15H19FN4OS — CID 97200798

IUPAC(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)s1
InChIInChI=1S/C15H19FN4OS/c1-10-18-19-13(22-10)8-9-17-15(21)14(20(2)3)11-4-6-12(16)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyJPWCQOIUILQFLN-CQSZACIVSA-N
MW322.41 g/mol
LogP1.95
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (PubChem CID 97200798) has the molecular formula C15H19FN4OS and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
PubChem CID97200798
Molecular FormulaC15H19FN4OS
Molecular Weight322.41 g/mol
Exact Mass322.13
IUPAC Name(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)s1
InChIInChI=1S/C15H19FN4OS/c1-10-18-19-13(22-10)8-9-17-15(21)14(20(2)3)11-4-6-12(16)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyJPWCQOIUILQFLN-CQSZACIVSA-N
XLogP1.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-2-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]acetic acid
CID 136552415
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 131903948
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
CID 72842259
(2R)-2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 97200456
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 72886848
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 72908654
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98348179
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (CID 97200798) is (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is Cc1nnc(CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)s1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The InChIKey is JPWCQOIUILQFLN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19FN4OS/c1-10-18-19-13(22-10)8-9-17-15(21)14(20(2)3)11-4-6-12(16)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,17,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 97200798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).