1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea

C18H29N3O3S — CID 59721378

IUPAC1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(C)C(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O
InChIInChI=1S/C18H29N3O3S/c1-10(2)16(23)15(12(5)22)20-18(24)21(13-6-7-13)9-14-8-19-17(25-14)11(3)4/h8,10-13,15,22H,6-7,9H2,1-5H3,(H,20,24)
InChIKeyFRJMNRFRDFTMDQ-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.91
Rot. Bonds8

About 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea

1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 59721378) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
PubChem CID59721378
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(C)C(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O
InChIInChI=1S/C18H29N3O3S/c1-10(2)16(23)15(12(5)22)20-18(24)21(13-6-7-13)9-14-8-19-17(25-14)11(3)4/h8,10-13,15,22H,6-7,9H2,1-5H3,(H,20,24)
InChIKeyFRJMNRFRDFTMDQ-UHFFFAOYSA-N
XLogP2.91
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (CID 59721378) is 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is CC(C)C(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O.
What is the InChIKey of 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is FRJMNRFRDFTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-10(2)16(23)15(12(5)22)20-18(24)21(13-6-7-13)9-14-8-19-17(25-14)11(3)4/h8,10-13,15,22H,6-7,9H2,1-5H3,(H,20,24).
What are the key properties of 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 367.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 59721378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).