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

C16H25N3O3S — CID 67522984

IUPAC1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O
InChIInChI=1S/C16H25N3O3S/c1-9(2)15-17-7-13(23-15)8-19(12-5-6-12)16(22)18-14(10(3)20)11(4)21/h7,9-10,12,14,20H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyIMNIZQXBRFXJEX-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.28
Rot. Bonds7

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

1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 67522984) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
PubChem CID67522984
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O
InChIInChI=1S/C16H25N3O3S/c1-9(2)15-17-7-13(23-15)8-19(12-5-6-12)16(22)18-14(10(3)20)11(4)21/h7,9-10,12,14,20H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyIMNIZQXBRFXJEX-UHFFFAOYSA-N
XLogP2.28
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.28
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-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (CID 67522984) is 1-cyclopropyl-3-(2-hydroxy-4-oxopentan-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-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is CC(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O.
What is the InChIKey of 1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is IMNIZQXBRFXJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-9(2)15-17-7-13(23-15)8-19(12-5-6-12)16(22)18-14(10(3)20)11(4)21/h7,9-10,12,14,20H,5-6,8H2,1-4H3,(H,18,22).
What are the key properties of 1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
1-cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 339.46 g/mol, XLogP of 2.28, 7 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-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 67522984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).