1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea

C17H27N3O2S — CID 71990550

IUPAC1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea
SMILESCC1CCCCC1OCCNC(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C17H27N3O2S/c1-12-4-2-3-5-14(12)22-10-8-19-17(21)20-15(13-6-7-13)16-18-9-11-23-16/h9,11-15H,2-8,10H2,1H3,(H2,19,20,21)
InChIKeyBYKIGOIHNDZJMP-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.49
Rot. Bonds7

About 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea (PubChem CID 71990550) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea
PubChem CID71990550
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea
SMILESCC1CCCCC1OCCNC(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C17H27N3O2S/c1-12-4-2-3-5-14(12)22-10-8-19-17(21)20-15(13-6-7-13)16-18-9-11-23-16/h9,11-15H,2-8,10H2,1H3,(H2,19,20,21)
InChIKeyBYKIGOIHNDZJMP-UHFFFAOYSA-N
XLogP3.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea (CID 71990550) is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea.
What is the SMILES notation for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The canonical SMILES for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea is CC1CCCCC1OCCNC(=O)NC(c1nccs1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The InChIKey is BYKIGOIHNDZJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12-4-2-3-5-14(12)22-10-8-19-17(21)20-15(13-6-7-13)16-18-9-11-23-16/h9,11-15H,2-8,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea has a molecular weight of 337.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea is sourced from PubChem (CID 71990550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).