N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

C15H19N3OS — CID 3120394

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
SMILESCC(C)Cc1nnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-11(2)10-14-17-18-15(20-14)16-13(19)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18,19)
InChIKeyDJCAGHNOTNUZIF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.31
Rot. Bonds6

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (PubChem CID 3120394) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
PubChem CID3120394
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
SMILESCC(C)Cc1nnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-11(2)10-14-17-18-15(20-14)16-13(19)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18,19)
InChIKeyDJCAGHNOTNUZIF-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (CID 3120394) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is CC(C)Cc1nnc(NC(=O)CCc2ccccc2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The InChIKey is DJCAGHNOTNUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(2)10-14-17-18-15(20-14)16-13(19)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18,19).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 3120394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).