2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide

C13H15N3OS — CID 2739183

IUPAC2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)12(17)14-10-6-4-9(5-7-10)11-8-18-16-15-11/h4-8H,1-3H3,(H,14,17)
InChIKeyPWTRGIODBDUYKU-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds2

About 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide

2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide (PubChem CID 2739183) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide
PubChem CID2739183
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)12(17)14-10-6-4-9(5-7-10)11-8-18-16-15-11/h4-8H,1-3H3,(H,14,17)
InChIKeyPWTRGIODBDUYKU-UHFFFAOYSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 2739181
N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2,2-trichloroacetamide
CID 2739182
N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 645728
1H-Pyrrole-2,5-dione, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-
CID 2739294
N-(2,4-dimethylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 1454956
2-[4-(2,4-difluorophenyl)thiadiazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 25227088
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanyl-acetamide
CID 25226706
1-Hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 42646083
N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 47386684
N-[4-({Methyl[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]amino}methyl)phenyl]acetamide
CID 50953439
N-tert-butyl-2-[[4-(thiadiazol-4-yl)phenyl]carbamoylamino]propanamide
CID 53618792

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide (CID 2739183) is 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The InChIKey is PWTRGIODBDUYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-13(2,3)12(17)14-10-6-4-9(5-7-10)11-8-18-16-15-11/h4-8H,1-3H3,(H,14,17).
What are the key properties of 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide has a molecular weight of 261.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 2739183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).