1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

C16H19N3O2S — CID 60616655

IUPAC1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCc2cscn2)c1)NC1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-16(18-12-4-1-2-5-12)19-13-6-3-7-15(8-13)21-9-14-10-22-11-17-14/h3,6-8,10-12H,1-2,4-5,9H2,(H2,18,19,20)
InChIKeyALUWIWNTEGZNOK-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.79
Rot. Bonds5

About 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (PubChem CID 60616655) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
PubChem CID60616655
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCc2cscn2)c1)NC1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-16(18-12-4-1-2-5-12)19-13-6-3-7-15(8-13)21-9-14-10-22-11-17-14/h3,6-8,10-12H,1-2,4-5,9H2,(H2,18,19,20)
InChIKeyALUWIWNTEGZNOK-UHFFFAOYSA-N
XLogP3.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568082
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56567793
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 166193918
4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56568213
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86834806
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (CID 60616655) is 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is O=C(Nc1cccc(OCc2cscn2)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The InChIKey is ALUWIWNTEGZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(18-12-4-1-2-5-12)19-13-6-3-7-15(8-13)21-9-14-10-22-11-17-14/h3,6-8,10-12H,1-2,4-5,9H2,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea has a molecular weight of 317.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 60616655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).