1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C15H23N5OS — CID 71990205

IUPAC1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(C(C)NC(=O)NCc2nccn2CC(C)C)cs1
InChIInChI=1S/C15H23N5OS/c1-10(2)8-20-6-5-16-14(20)7-17-15(21)18-11(3)13-9-22-12(4)19-13/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18,21)
InChIKeyYVRHQFKYHCOWGA-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.86
Rot. Bonds6

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

1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71990205) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71990205
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(C(C)NC(=O)NCc2nccn2CC(C)C)cs1
InChIInChI=1S/C15H23N5OS/c1-10(2)8-20-6-5-16-14(20)7-17-15(21)18-11(3)13-9-22-12(4)19-13/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18,21)
InChIKeyYVRHQFKYHCOWGA-UHFFFAOYSA-N
XLogP2.86
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 71990205) is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(C(C)NC(=O)NCc2nccn2CC(C)C)cs1.
What is the InChIKey of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is YVRHQFKYHCOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-10(2)8-20-6-5-16-14(20)7-17-15(21)18-11(3)13-9-22-12(4)19-13/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 321.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71990205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).