5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

C15H16N4OS — CID 30330280

IUPAC5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(NC4CCCC4)n3)cc2[nH]1
InChIInChI=1S/C15H16N4OS/c20-14-17-11-6-5-9(7-12(11)18-14)13-8-21-15(19-13)16-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,16,19)(H2,17,18,20)
InChIKeyPXZLXZVABSFGPE-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.33
Rot. Bonds3

About 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 30330280) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID30330280
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(NC4CCCC4)n3)cc2[nH]1
InChIInChI=1S/C15H16N4OS/c20-14-17-11-6-5-9(7-12(11)18-14)13-8-21-15(19-13)16-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,16,19)(H2,17,18,20)
InChIKeyPXZLXZVABSFGPE-UHFFFAOYSA-N
XLogP3.33
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 30330280) is 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3csc(NC4CCCC4)n3)cc2[nH]1.
What is the InChIKey of 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PXZLXZVABSFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-14-17-11-6-5-9(7-12(11)18-14)13-8-21-15(19-13)16-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,16,19)(H2,17,18,20).
What are the key properties of 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 300.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 30330280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).