3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide

C20H27N3OS — CID 1444824

IUPAC3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2nnc(N(C(=O)CCC3CCCC3)C(C)C)s2)cc1
InChIInChI=1S/C20H27N3OS/c1-14(2)23(18(24)13-10-16-6-4-5-7-16)20-22-21-19(25-20)17-11-8-15(3)9-12-17/h8-9,11-12,14,16H,4-7,10,13H2,1-3H3
InChIKeyJJPNUYSSPXFMIO-UHFFFAOYSA-N
MW357.52 g/mol
LogP5.23
Rot. Bonds6

About 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide

3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide (PubChem CID 1444824) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide
PubChem CID1444824
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2nnc(N(C(=O)CCC3CCCC3)C(C)C)s2)cc1
InChIInChI=1S/C20H27N3OS/c1-14(2)23(18(24)13-10-16-6-4-5-7-16)20-22-21-19(25-20)17-11-8-15(3)9-12-17/h8-9,11-12,14,16H,4-7,10,13H2,1-3H3
InChIKeyJJPNUYSSPXFMIO-UHFFFAOYSA-N
XLogP5.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide (CID 1444824) is 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide is Cc1ccc(-c2nnc(N(C(=O)CCC3CCCC3)C(C)C)s2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide?
The InChIKey is JJPNUYSSPXFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-14(2)23(18(24)13-10-16-6-4-5-7-16)20-22-21-19(25-20)17-11-8-15(3)9-12-17/h8-9,11-12,14,16H,4-7,10,13H2,1-3H3.
What are the key properties of 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide?
3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide has a molecular weight of 357.52 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 1444824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).