1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea

C14H20N6OS — CID 56825877

IUPAC1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)Nc1nnc(CC2CCCC2)s1
InChIInChI=1S/C14H20N6OS/c21-13(16-6-8-20-7-5-15-10-20)17-14-19-18-12(22-14)9-11-3-1-2-4-11/h5,7,10-11H,1-4,6,8-9H2,(H2,16,17,19,21)
InChIKeyBQDJZKMWBGFEFP-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.29
Rot. Bonds6

About 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea

1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea (PubChem CID 56825877) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea
PubChem CID56825877
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)Nc1nnc(CC2CCCC2)s1
InChIInChI=1S/C14H20N6OS/c21-13(16-6-8-20-7-5-15-10-20)17-14-19-18-12(22-14)9-11-3-1-2-4-11/h5,7,10-11H,1-4,6,8-9H2,(H2,16,17,19,21)
InChIKeyBQDJZKMWBGFEFP-UHFFFAOYSA-N
XLogP2.29
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea?
The IUPAC name of 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea (CID 56825877) is 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea.
What is the SMILES notation for 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea?
The canonical SMILES for 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea is O=C(NCCn1ccnc1)Nc1nnc(CC2CCCC2)s1.
What is the InChIKey of 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea?
The InChIKey is BQDJZKMWBGFEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c21-13(16-6-8-20-7-5-15-10-20)17-14-19-18-12(22-14)9-11-3-1-2-4-11/h5,7,10-11H,1-4,6,8-9H2,(H2,16,17,19,21).
What are the key properties of 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea?
1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea has a molecular weight of 320.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(2-imidazol-1-ylethyl)urea is sourced from PubChem (CID 56825877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).