2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide

C15H19N3OS — CID 821488

IUPAC2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)13(19)16-14-18-17-12(20-14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19)
InChIKeyKDFIOZGUNKGMRQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.31
Rot. Bonds4

About 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide

2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 821488) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID821488
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)13(19)16-14-18-17-12(20-14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19)
InChIKeyKDFIOZGUNKGMRQ-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 821488) is 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)(C)C(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is KDFIOZGUNKGMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)13(19)16-14-18-17-12(20-14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19).
What are the key properties of 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 821488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).