1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea

C18H29N3O2S — CID 58183150

IUPAC1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ncc(CO)s1)N(C1CCCCCC1)C1CCCCC1
InChIInChI=1S/C18H29N3O2S/c22-13-16-12-19-17(24-16)20-18(23)21(15-10-6-3-7-11-15)14-8-4-1-2-5-9-14/h12,14-15,22H,1-11,13H2,(H,19,20,23)
InChIKeyYQVDMFIQZPRNMR-UHFFFAOYSA-N
MW351.52 g/mol
LogP4.52
Rot. Bonds4

About 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea

1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea (PubChem CID 58183150) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea
PubChem CID58183150
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ncc(CO)s1)N(C1CCCCCC1)C1CCCCC1
InChIInChI=1S/C18H29N3O2S/c22-13-16-12-19-17(24-16)20-18(23)21(15-10-6-3-7-11-15)14-8-4-1-2-5-9-14/h12,14-15,22H,1-11,13H2,(H,19,20,23)
InChIKeyYQVDMFIQZPRNMR-UHFFFAOYSA-N
XLogP4.52
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea (CID 58183150) is 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea is O=C(Nc1ncc(CO)s1)N(C1CCCCCC1)C1CCCCC1.
What is the InChIKey of 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is YQVDMFIQZPRNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c22-13-16-12-19-17(24-16)20-18(23)21(15-10-6-3-7-11-15)14-8-4-1-2-5-9-14/h12,14-15,22H,1-11,13H2,(H,19,20,23).
What are the key properties of 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea?
1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 351.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-cyclohexyl-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 58183150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).