1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

C15H23N3O2S — CID 75424050

IUPAC1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCCCc1nc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)sc1CC
InChIInChI=1S/C15H23N3O2S/c1-3-5-12-13(4-2)21-15(17-12)18-14(20)16-11-7-6-10(8-11)9-19/h6-7,10-11,19H,3-5,8-9H2,1-2H3,(H2,16,17,18,20)/t10-,11+/m0/s1
InChIKeyJDSOCJXPOJLJHP-WDEREUQCSA-N
MW309.44 g/mol
LogP2.72
Rot. Bonds6

About 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (PubChem CID 75424050) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
PubChem CID75424050
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCCCc1nc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)sc1CC
InChIInChI=1S/C15H23N3O2S/c1-3-5-12-13(4-2)21-15(17-12)18-14(20)16-11-7-6-10(8-11)9-19/h6-7,10-11,19H,3-5,8-9H2,1-2H3,(H2,16,17,18,20)/t10-,11+/m0/s1
InChIKeyJDSOCJXPOJLJHP-WDEREUQCSA-N
XLogP2.72
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The IUPAC name of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (CID 75424050) is 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.
What is the SMILES notation for 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The canonical SMILES for 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is CCCc1nc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)sc1CC.
What is the InChIKey of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The InChIKey is JDSOCJXPOJLJHP-WDEREUQCSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-5-12-13(4-2)21-15(17-12)18-14(20)16-11-7-6-10(8-11)9-19/h6-7,10-11,19H,3-5,8-9H2,1-2H3,(H2,16,17,18,20)/t10-,11+/m0/s1.
What are the key properties of 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea has a molecular weight of 309.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is sourced from PubChem (CID 75424050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).