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

C14H21N5OS — CID 71869888

IUPAC1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC(C)c1nccs1
InChIInChI=1S/C14H21N5OS/c1-10(2)9-19-6-4-15-12(19)8-17-14(20)18-11(3)13-16-5-7-21-13/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyZIBAHQFOTNWVFZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.56
Rot. Bonds6

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

1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71869888) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID71869888
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC(C)c1nccs1
InChIInChI=1S/C14H21N5OS/c1-10(2)9-19-6-4-15-12(19)8-17-14(20)18-11(3)13-16-5-7-21-13/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyZIBAHQFOTNWVFZ-UHFFFAOYSA-N
XLogP2.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.56
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-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (CID 71869888) is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea is CC(C)Cn1ccnc1CNC(=O)NC(C)c1nccs1.
What is the InChIKey of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is ZIBAHQFOTNWVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10(2)9-19-6-4-15-12(19)8-17-14(20)18-11(3)13-16-5-7-21-13/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 307.42 g/mol, XLogP of 2.56, 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-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71869888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).