1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C13H23N3O2S — CID 75383490

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC(CO)CC(C)C)cs1
InChIInChI=1S/C13H23N3O2S/c1-9(2)6-12(7-17)16-13(18)14-5-4-11-8-19-10(3)15-11/h8-9,12,17H,4-7H2,1-3H3,(H2,14,16,18)
InChIKeyDDEXPRWQPKHZEV-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.70
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 75383490) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID75383490
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC(CO)CC(C)C)cs1
InChIInChI=1S/C13H23N3O2S/c1-9(2)6-12(7-17)16-13(18)14-5-4-11-8-19-10(3)15-11/h8-9,12,17H,4-7H2,1-3H3,(H2,14,16,18)
InChIKeyDDEXPRWQPKHZEV-UHFFFAOYSA-N
XLogP1.70
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 75383490) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NC(CO)CC(C)C)cs1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is DDEXPRWQPKHZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)6-12(7-17)16-13(18)14-5-4-11-8-19-10(3)15-11/h8-9,12,17H,4-7H2,1-3H3,(H2,14,16,18).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 285.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 75383490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).