1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea

C15H21N3O2S — CID 128912506

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ncc(C2CCOCC2)s1)NC1CC2CC2C1
InChIInChI=1S/C15H21N3O2S/c19-14(17-12-6-10-5-11(10)7-12)18-15-16-8-13(21-15)9-1-3-20-4-2-9/h8-12H,1-7H2,(H2,16,17,18,19)
InChIKeyCBYWBVODHRSGFV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.96
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea

1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea (PubChem CID 128912506) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
PubChem CID128912506
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ncc(C2CCOCC2)s1)NC1CC2CC2C1
InChIInChI=1S/C15H21N3O2S/c19-14(17-12-6-10-5-11(10)7-12)18-15-16-8-13(21-15)9-1-3-20-4-2-9/h8-12H,1-7H2,(H2,16,17,18,19)
InChIKeyCBYWBVODHRSGFV-UHFFFAOYSA-N
XLogP2.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea (CID 128912506) is 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea is O=C(Nc1ncc(C2CCOCC2)s1)NC1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is CBYWBVODHRSGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-14(17-12-6-10-5-11(10)7-12)18-15-16-8-13(21-15)9-1-3-20-4-2-9/h8-12H,1-7H2,(H2,16,17,18,19).
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 307.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 128912506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).