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

C15H23N5OS — CID 71925639

IUPAC1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C15H23N5OS/c1-11(2)10-20-7-5-16-12(20)9-18-14(21)19-15(3,4)13-17-6-8-22-13/h5-8,11H,9-10H2,1-4H3,(H2,18,19,21)
InChIKeyNAKDDOBFHRIKSW-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.73
Rot. Bonds6

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

1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 71925639) 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-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID71925639
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C15H23N5OS/c1-11(2)10-20-7-5-16-12(20)9-18-14(21)19-15(3,4)13-17-6-8-22-13/h5-8,11H,9-10H2,1-4H3,(H2,18,19,21)
InChIKeyNAKDDOBFHRIKSW-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (CID 71925639) is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is CC(C)Cn1ccnc1CNC(=O)NC(C)(C)c1nccs1.
What is the InChIKey of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is NAKDDOBFHRIKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-11(2)10-20-7-5-16-12(20)9-18-14(21)19-15(3,4)13-17-6-8-22-13/h5-8,11H,9-10H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 321.45 g/mol, XLogP of 2.73, 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-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 71925639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).