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

C15H25N3O2S — CID 67522991

IUPAC1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)C(NC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C
InChIInChI=1S/C15H25N3O2S/c1-9(2)13(11(5)19)17-15(20)18(6)8-12-7-16-14(21-12)10(3)4/h7,9-10,13H,8H2,1-6H3,(H,17,20)
InChIKeyOIKOBKZIZLRDSV-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.02
Rot. Bonds6

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

1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 67522991) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
PubChem CID67522991
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)C(NC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C
InChIInChI=1S/C15H25N3O2S/c1-9(2)13(11(5)19)17-15(20)18(6)8-12-7-16-14(21-12)10(3)4/h7,9-10,13H,8H2,1-6H3,(H,17,20)
InChIKeyOIKOBKZIZLRDSV-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (CID 67522991) is 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is CC(=O)C(NC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C.
What is the InChIKey of 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is OIKOBKZIZLRDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-9(2)13(11(5)19)17-15(20)18(6)8-12-7-16-14(21-12)10(3)4/h7,9-10,13H,8H2,1-6H3,(H,17,20).
What are the key properties of 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 311.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 67522991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).