1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea

C15H25N3OS — CID 75378380

IUPAC1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea
SMILESCc1nc(CNC(=O)N(C2CC2)C(C)C(C)C)sc1C
InChIInChI=1S/C15H25N3OS/c1-9(2)11(4)18(13-6-7-13)15(19)16-8-14-17-10(3)12(5)20-14/h9,11,13H,6-8H2,1-5H3,(H,16,19)
InChIKeyIJXIMFZUBHVYRB-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.48
Rot. Bonds5

About 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea

1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea (PubChem CID 75378380) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea
PubChem CID75378380
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea
SMILESCc1nc(CNC(=O)N(C2CC2)C(C)C(C)C)sc1C
InChIInChI=1S/C15H25N3OS/c1-9(2)11(4)18(13-6-7-13)15(19)16-8-14-17-10(3)12(5)20-14/h9,11,13H,6-8H2,1-5H3,(H,16,19)
InChIKeyIJXIMFZUBHVYRB-UHFFFAOYSA-N
XLogP3.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea (CID 75378380) is 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea is Cc1nc(CNC(=O)N(C2CC2)C(C)C(C)C)sc1C.
What is the InChIKey of 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea?
The InChIKey is IJXIMFZUBHVYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-9(2)11(4)18(13-6-7-13)15(19)16-8-14-17-10(3)12(5)20-14/h9,11,13H,6-8H2,1-5H3,(H,16,19).
What are the key properties of 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea?
1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea has a molecular weight of 295.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 75378380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).