3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide

C14H22N4O2S — CID 99795811

IUPAC3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)Nc2sc(C)nc2CC(C)C)CC1=O
InChIInChI=1S/C14H22N4O2S/c1-5-17-8-18(7-12(17)19)14(20)16-13-11(6-9(2)3)15-10(4)21-13/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyWZIYCBHLCJRYSY-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.30
Rot. Bonds4

About 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide

3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 99795811) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide
PubChem CID99795811
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)Nc2sc(C)nc2CC(C)C)CC1=O
InChIInChI=1S/C14H22N4O2S/c1-5-17-8-18(7-12(17)19)14(20)16-13-11(6-9(2)3)15-10(4)21-13/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyWZIYCBHLCJRYSY-UHFFFAOYSA-N
XLogP2.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide (CID 99795811) is 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide is CCN1CN(C(=O)Nc2sc(C)nc2CC(C)C)CC1=O.
What is the InChIKey of 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is WZIYCBHLCJRYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-5-17-8-18(7-12(17)19)14(20)16-13-11(6-9(2)3)15-10(4)21-13/h9H,5-8H2,1-4H3,(H,16,20).
What are the key properties of 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide?
3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 99795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).