1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea

C14H18N4OS2 — CID 166386866

IUPAC1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC1CCC(C)(NC(=O)Nc2nnc(-c3ccsc3)s2)C1
InChIInChI=1S/C14H18N4OS2/c1-9-3-5-14(2,7-9)16-12(19)15-13-18-17-11(21-13)10-4-6-20-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyBGFMIHQHKQNADG-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.97
Rot. Bonds3

About 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea

1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 166386866) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID166386866
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC1CCC(C)(NC(=O)Nc2nnc(-c3ccsc3)s2)C1
InChIInChI=1S/C14H18N4OS2/c1-9-3-5-14(2,7-9)16-12(19)15-13-18-17-11(21-13)10-4-6-20-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyBGFMIHQHKQNADG-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea (CID 166386866) is 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea is CC1CCC(C)(NC(=O)Nc2nnc(-c3ccsc3)s2)C1.
What is the InChIKey of 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is BGFMIHQHKQNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-9-3-5-14(2,7-9)16-12(19)15-13-18-17-11(21-13)10-4-6-20-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea?
1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 322.46 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 166386866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).